data_1r57_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 1r57 _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 ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.113 0.482 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.15 120.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.89 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.42 124.39 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.724 0.297 . . . . 0.0 110.498 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -87.88 116.17 25.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.8 -168.33 13.56 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.26 94.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.447 0.299 . . . . 0.0 111.109 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 55.65 26.71 9.59 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.224 0.535 . . . . 0.0 111.144 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HZ1' HG21 ' A' ' 27' ' ' THR . 0.5 OUTLIER -143.01 141.15 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.355 -177.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -120.05 124.77 46.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . 48.2 p90 -133.02 142.36 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.336 0.589 . . . . 0.0 111.932 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.31 119.18 59.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.523 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.94 -173.08 42.84 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -74.48 -49.52 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.74 -164.39 2.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.17 -35.49 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -80.67 -39.13 27.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -88.1 31.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.253 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 92.66 4.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.54 -31.85 62.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.985 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -145.72 114.36 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 14' ' ' TYR . 1.1 pp20? -137.28 155.11 49.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.934 0.397 . . . . 0.0 111.116 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 60' ' ' VAL . 15.9 tt -139.72 141.95 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.657 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.459 HG21 ' HZ1' ' A' ' 12' ' ' LYS . 81.0 p -123.56 146.89 47.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.662 0.268 . . . . 0.0 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 31.9 p90 -144.74 138.1 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' ' OD1' ' A' ' 37' ' ' ASN . 9.1 ptp180 -128.98 154.99 46.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -83.39 100.45 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.64 -38.86 46.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.772 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -125.45 -79.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.262 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.6 -86.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.495 0.188 . . . . 0.0 110.841 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -88.43 -1.18 57.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.246 0.546 . . . . 0.0 110.14 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -88.36 119.97 29.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 pt -117.68 146.56 21.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.822 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 26.5 p-10 -118.15 142.06 47.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.277 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.1 mt -75.49 98.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 12.1 t70 -66.16 -54.92 19.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.087 -172.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -144.03 143.5 31.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -129.07 90.16 2.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.921 0.391 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.78 71.88 2.7 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.664 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.4 t -112.49 119.2 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.685 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.985 0.422 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.32 58.48 Favored Glycine 0 C--O 1.225 -0.427 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.132 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -63.36 -37.8 88.68 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 117.071 0.436 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.9 -39.68 87.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.964 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.08 -46.31 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.661 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -57.23 -45.65 83.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.229 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -55.91 -48.77 75.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.894 0.378 . . . . 0.0 110.198 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.76 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.467 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG21 HD12 ' A' ' 26' ' ' ILE . 99.3 t -64.38 -50.07 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.386 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 88' ' ' TYR . 96.5 t -63.54 -41.93 94.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 110.853 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.66 -48.24 82.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.128 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -64.23 -42.7 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.158 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.41 90.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.063 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -58.32 -47.14 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.498 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.12 -18.8 62.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 1.83 39.24 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.242 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -86.54 144.56 27.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -100.89 128.66 46.83 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 91' ' ' VAL . 52.9 mt -104.01 118.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.473 0.654 . . . . 0.0 112.136 -174.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -116.66 175.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.92 131.83 26.01 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.173 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 m -89.89 -18.97 25.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.04 128.81 42.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.389 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 p -61.83 -33.55 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.513 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -55.18 -54.21 46.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.69 75.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.03 -43.94 91.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.459 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -78.03 -28.28 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.457 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 66.8 mtm -68.76 -45.99 69.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.732 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.39 -21.56 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.565 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.0 -43.06 88.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.043 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -18.76 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.506 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.28 92.74 6.9 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 -174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.05 -6.09 39.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 m -70.0 -20.59 63.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.462 ' CD1' HG13 ' A' ' 61' ' ' VAL . 29.3 m-85 -109.91 25.37 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.74 -8.38 42.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.875 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.71 -53.0 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.19 0.519 . . . . 0.0 110.909 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 HD13 ' A' ' 71' ' ' ILE . 27.8 m -102.42 -12.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.882 -172.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -87.24 125.8 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.555 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.555 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 13.6 tt0 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.594 HD11 ' HG2' ' A' ' 55' ' ' LYS . 58.3 mt -82.82 125.7 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.109 0.481 . . . . 0.0 111.412 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HE3' ' OE2' ' A' ' 5' ' ' GLU . 22.0 mmtp -99.44 139.49 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 171.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -107.79 144.83 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.466 0.651 . . . . 0.0 112.004 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.84 -176.98 15.71 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.15 112.98 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.505 0.652 . . . . 0.0 110.415 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.7 m120 67.31 15.21 9.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.067 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' HB3' HG21 ' A' ' 27' ' ' THR . 18.5 ptpt -147.08 144.99 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.197 0.523 . . . . 0.0 111.995 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -125.16 128.0 47.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 28.6 p90 -133.55 129.23 36.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.406 0.622 . . . . 0.0 111.408 -175.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 HG13 HD21 ' A' ' 56' ' ' LEU . 68.1 mt -89.64 116.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.36 174.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.66 173.46 35.78 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.65 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -76.97 -49.61 15.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.43 168.12 13.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.855 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.25 -30.6 69.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -87.35 10.91 15.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.664 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.86 68.64 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.406 0.622 . . . . 0.0 109.823 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.0 124.36 49.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.116 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.49 -23.22 21.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.344 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -145.98 102.49 3.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.604 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.7 120.66 38.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.91 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.9 135.34 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.5 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 62.0 p -117.44 157.06 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.87 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 40.9 p90 -152.69 141.98 21.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 110.327 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 51.6 ttp85 -128.32 150.83 49.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.95 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.58 98.77 10.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 72' ' ' ILE . 8.2 m -76.37 -38.94 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -151.82 78.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.17 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.453 1.096 . . . . 0.0 112.785 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 6.29 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.963 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -124.57 122.03 36.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.115 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 pt -118.17 133.29 65.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.146 0.498 . . . . 0.0 111.129 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 29' ' ' ARG . 1.6 p-10 -100.38 143.94 29.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.5 HG23 ' SG ' ' A' ' 75' ' ' CYS . 3.4 mp -112.6 106.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -96.06 -52.35 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.761 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 58.4 t60 -103.89 125.94 50.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.429 0.633 . . . . 0.0 111.176 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -144.5 101.51 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.132 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.69 99.97 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.664 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 59.4 t -119.49 127.52 75.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.4 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.109 0.48 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.7 -47.28 88.06 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.703 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.594 ' HG2' HD11 ' A' ' 6' ' ' ILE . 40.8 ttmt -68.23 -45.83 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.937 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 15' ' ' ILE . 85.6 mt -66.24 -45.84 79.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.471 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 61' ' ' VAL . 7.1 mp -58.73 -49.2 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -59.53 -37.86 79.48 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.76 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.7 93.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 92.3 t -72.01 -39.92 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 57' ' ' LEU . 89.2 t -69.52 -35.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.58 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 44.6 tt0 -60.57 -49.69 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 15.1 t-80 -50.92 -45.3 60.37 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.583 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 -39.41 79.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -41.32 82.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -56.23 -53.36 58.07 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.096 0.474 . . . . 0.0 111.155 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 80.5 m-20 -101.08 10.25 41.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.398 -172.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.61 49.05 21.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.34 0.59 . . . . 0.0 111.227 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 76.3 mt -89.12 137.95 31.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.26 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.589 ' HD3' HD11 ' A' ' 93' ' ' LEU . 63.2 mttp -81.5 140.52 34.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.996 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 38' ' ' ILE . 70.2 mt -111.93 126.35 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.262 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.528 HD13 HG21 ' A' ' 31' ' ' VAL . 20.3 pt -123.41 129.58 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.784 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.32 134.61 50.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.935 0.397 . . . . 0.0 111.479 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 31.8 t -111.68 -5.49 14.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.598 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 4.6 p -97.23 117.11 30.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.43 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.0 t -57.84 -33.99 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.569 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.79 -51.69 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.519 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -75.53 -38.71 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.8 -42.98 72.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.546 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 25.5 m80 -65.55 -27.53 68.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.69 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.6 mtm -84.96 -28.81 25.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 93.2 mt -71.32 -41.59 69.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.78 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.96 -18.39 56.06 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 110.767 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 64.0 tttm -69.91 -46.27 65.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.594 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 30.3 tt0 -111.45 150.68 29.51 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.114 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -81.55 -10.75 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.869 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -74.46 -7.52 53.26 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 21.6 m-85 -115.03 -13.85 11.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.626 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.98 -8.34 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -166.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.97 -44.38 63.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.79 -24.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.895 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -76.85 123.89 26.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.589 HD11 ' HD3' ' A' ' 70' ' ' LYS . 83.1 mt . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.99 96.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.52 128.75 33.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.108 0.48 . . . . 0.0 109.925 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -96.88 121.99 39.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.693 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.32 -179.13 17.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.78 115.57 13.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 117.343 0.571 . . . . 0.0 110.485 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 65.38 19.16 11.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.682 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 27' ' ' THR . 57.3 pttt -153.49 143.66 22.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.344 0.592 . . . . 0.0 112.216 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.7 127.83 53.94 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -134.09 140.17 46.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.203 0.525 . . . . 0.0 111.237 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.663 HG13 HD22 ' A' ' 56' ' ' LEU . 69.5 mt -114.57 117.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.065 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.78 163.7 30.89 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -71.85 -40.59 68.91 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.897 0.379 . . . . 0.0 110.125 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -122.11 161.8 22.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.81 -27.54 62.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 110.604 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -77.52 -35.01 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.291 0.567 . . . . 0.0 109.95 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -105.75 49.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.956 0.884 . . . . 0.0 109.615 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.2 117.16 14.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.693 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.53 -33.85 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.15 131.1 10.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.73 142.19 50.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.041 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 38' ' ' ILE . 14.8 tt -124.6 128.37 73.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.5 p -109.25 138.82 45.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 12.1 p90 -145.3 141.84 28.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.415 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 29' ' ' ARG . 10.0 ptm85 -136.04 137.7 41.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -176.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.08 96.87 2.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.921 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 72' ' ' ILE . 30.2 m -81.86 -26.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -141.7 -159.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.841 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.83 -57.42 12.12 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.266 0.354 . . . . 0.0 111.951 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -127.99 5.66 5.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.39 120.19 30.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.367 . . . . 0.0 110.736 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 pt -108.81 135.25 48.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.099 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 23.2 t-20 -109.17 126.34 53.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.054 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 26' ' ' ILE . 70.8 mt -96.39 102.37 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 3.9 p-10 -78.29 -34.91 48.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.813 -174.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 28.4 p-80 -155.14 153.3 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.36 0.6 . . . . 0.0 111.228 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 43' ' ' VAL . 7.7 m -128.74 96.41 4.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.003 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -79.08 81.41 1.42 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.05 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 41' ' ' THR . 48.2 t -100.2 112.92 34.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.702 0.287 . . . . 0.0 110.452 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.318 -0.773 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.472 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.197 0.522 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.11 -24.38 75.91 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.036 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -69.83 -37.93 76.38 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -64.23 -37.75 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.195 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.663 HD22 HG13 ' A' ' 15' ' ' ILE . 81.6 mt -65.23 -48.38 73.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.68 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD22 ' HE3' ' A' ' 81' ' ' MET . 61.3 tp -58.1 -44.22 87.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.835 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -56.78 -45.06 82.37 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.75 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.08 99.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.21 -48.82 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.578 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 88' ' ' TYR . 99.5 t -63.34 -41.96 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.057 0.455 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.8 tt0 -62.05 -45.18 94.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 19.9 t60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.48 -43.36 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.297 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -62.81 -35.94 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.775 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.1 mt-10 -60.07 -44.52 94.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.13 0.49 . . . . 0.0 110.468 176.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -102.32 14.5 31.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.365 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.0 m120 62.22 29.18 17.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.021 0.439 . . . . 0.0 111.407 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 64' ' ' ALA . 83.2 mt -78.47 156.23 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 3.6 mptp? -107.94 137.61 45.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.343 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.19 123.62 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 111.626 -172.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.5 pt -125.5 136.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.014 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.81 123.83 24.16 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.235 -174.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 3.2 p -87.6 -22.57 24.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.228 0.537 . . . . 0.0 110.268 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.1 t -67.81 108.97 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.785 175.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 m -58.23 -35.81 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.668 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.1 -57.19 13.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.951 0.405 . . . . 0.0 110.861 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.4 84.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.572 ' HG2' ' HH ' ' A' ' 92' ' ' TYR . 5.7 tmmm? -58.0 -45.55 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.045 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -73.07 -17.54 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.135 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.465 ' HE3' HD22 ' A' ' 57' ' ' LEU . 73.6 mtm -81.6 -35.08 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.32 -34.58 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 109.573 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -70.58 -16.67 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -72.92 -59.63 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.07 145.42 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 111.833 -170.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.627 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 2.9 m-20 -75.3 -4.34 38.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.758 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.5 t -63.1 -23.38 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 0.0 110.036 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.491 ' CD2' HG13 ' A' ' 61' ' ' VAL . 2.2 m-85 -112.1 9.08 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.366 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.627 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 6.3 tp60 -79.58 -19.14 50.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.218 -170.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.61 -17.61 25.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.814 -0.553 . . . . 0.0 111.313 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.461 HG23 HG11 ' A' ' 61' ' ' VAL . 15.6 m -101.61 -38.15 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' HH ' ' HG2' ' A' ' 79' ' ' LYS . 44.0 t80 -89.07 142.51 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 93' ' ' LEU . 7.5 mp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.074 0.464 . . . . 0.0 109.775 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.48 HD11 ' HG3' ' A' ' 55' ' ' LYS . 61.7 mt -83.56 106.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.244 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.08 117.0 18.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -96.09 141.9 28.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.258 0.551 . . . . 0.0 111.049 -175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.29 -171.28 14.17 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.923 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.39 109.47 6.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.049 0.425 . . . . 0.0 110.662 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m120 71.73 4.77 5.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.629 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -134.53 137.75 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.396 0.617 . . . . 0.0 112.151 -175.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -122.05 111.41 16.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.543 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 28.3 p90 -126.35 127.35 45.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.535 0.683 . . . . 0.0 111.935 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.87 118.61 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.361 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 177.58 175.67 44.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.75 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.33 -10.81 29.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.309 0.576 . . . . 0.0 110.108 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -156.48 167.54 30.13 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.48 -31.93 72.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.549 . . . . 0.0 110.057 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.29 -24.18 27.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.056 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -108.2 49.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.92 0.866 . . . . 0.0 109.156 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -95.61 112.16 23.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.431 175.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.7 -8.19 54.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -154.95 89.37 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 178.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 14' ' ' TYR . 49.0 tt0 -114.14 118.11 33.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 56' ' ' LEU . 20.2 tt -115.78 131.14 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.093 0.473 . . . . 0.0 110.17 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.614 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 82.6 p -125.72 140.63 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -122.46 132.88 54.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.934 0.397 . . . . 0.0 110.142 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 14.2 ptm180 -122.32 144.17 49.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.275 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.88 136.77 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.238 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 72' ' ' ILE . 10.6 m -110.98 -48.66 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.214 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.62 -91.21 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -128.22 -77.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -95.94 8.45 43.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -108.6 123.68 49.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -111.98 129.34 67.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.364 0.602 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.0 t-20 -96.71 128.93 44.13 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.134 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.432 HD13 HD11 ' A' ' 26' ' ' ILE . 54.4 mt -103.14 98.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -97.06 -22.03 17.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.614 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 25.7 t60 -124.58 113.95 18.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.596 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.58 HG23 ' HB1' ' A' ' 78' ' ' ALA . 23.7 m -138.87 90.93 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.486 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.85 74.68 2.17 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.406 -175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.509 HG23 HG22 ' A' ' 41' ' ' THR . 77.2 t -94.82 124.76 47.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 -178.277 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.14 -41.13 99.37 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.374 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -73.08 -28.45 62.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.703 0.287 . . . . 0.0 110.943 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HG3' HD11 ' A' ' 6' ' ' ILE . 48.9 tptt -58.1 -46.6 85.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.942 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD11 ' HB1' ' A' ' 24' ' ' ALA . 71.7 mt -61.97 -53.66 52.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.923 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.492 ' O ' HG21 ' A' ' 61' ' ' VAL . 10.8 mp -58.02 -42.18 84.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.991 -175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.44 -40.25 93.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.442 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.23 79.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.0 t -72.77 -44.64 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.635 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 57' ' ' LEU . 83.2 t -59.17 -35.96 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -56.32 -52.18 65.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.447 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -72.39 -31.13 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -65.1 -60.39 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' A' ' 90' ' ' ASP . 39.1 ttm180 -57.68 -36.81 72.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -55.47 -45.66 76.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.558 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.8 m120 -97.94 6.44 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.21 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.86 17.98 10.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.729 0.776 . . . . 0.0 110.529 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -68.88 142.22 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.852 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -111.71 138.05 48.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.676 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.0 mt -97.84 125.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.16 0.505 . . . . 0.0 112.131 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 10.1 pt -121.55 99.08 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.09 169.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . -87.78 135.22 33.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -174.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -103.09 -12.15 17.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.667 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 6.4 p -73.19 106.79 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.702 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -59.14 -35.02 72.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.36 -47.53 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.809 0.338 . . . . 0.0 111.27 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -80.14 -36.85 34.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.432 -176.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 63.2 tttm -62.27 -32.02 72.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.472 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -68.25 -18.42 64.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.667 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.4 mtt -74.96 -39.74 61.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 88' ' ' TYR . 28.5 mt -66.44 -36.69 83.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.053 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 31.3 mm-40 -60.51 -36.58 78.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -93.13 -57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.496 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 20.7 tt0 -77.95 107.81 10.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.586 0.708 . . . . 0.0 110.458 -175.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.37 -29.58 67.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.034 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.7 m -58.74 -23.63 60.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 20.5 m-85 -81.65 -13.49 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.664 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 42.6 mt-30 -80.22 9.19 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.141 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' CG ' HH21 ' A' ' 65' ' ' ARG . 15.0 t70 -67.05 -42.4 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.629 0.728 . . . . 0.0 109.367 172.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -108.34 -20.46 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 63.1 t80 -77.01 136.0 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.583 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.123 0.487 . . . . 0.0 110.252 179.154 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.124 0.488 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.12 106.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -91.25 113.2 25.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -78.31 158.71 28.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 111.708 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.46 177.81 31.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CD ' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -71.09 103.38 2.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.249 0.524 . . . . 0.0 110.698 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 72.14 19.93 4.39 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.176 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.25 148.73 23.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.753 175.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -114.42 135.35 54.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -139.98 147.28 40.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 56' ' ' LEU . 29.1 mt -109.37 122.73 64.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.485 0.66 . . . . 0.0 110.084 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.92 -178.39 31.65 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.46 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.625 ' HB2' HD22 ' A' ' 21' ' ' ASN . 11.6 m-20 -69.58 -39.43 77.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.775 0.787 . . . . 0.0 111.316 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -150.67 -168.6 3.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -12.11 32.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.811 0.338 . . . . 0.0 111.601 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -86.09 -22.73 26.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.625 HD22 ' HB2' ' A' ' 17' ' ' ASP . 30.4 p-10 -125.43 27.23 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.158 0.504 . . . . 0.0 110.12 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 122.57 16.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.734 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.21 -25.56 55.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.419 . . . . 0.0 110.217 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -156.53 130.13 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.454 174.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.77 150.01 52.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.321 0.582 . . . . 0.0 110.92 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 56' ' ' LEU . 16.0 tt -133.27 126.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.955 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.479 HG23 ' HB3' ' A' ' 12' ' ' LYS . 14.2 p -105.65 139.76 39.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 14.0 p90 -154.96 144.57 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.9 148.07 29.41 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -77.06 104.47 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.415 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.76 -32.48 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -133.37 -82.43 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.632 0.253 . . . . 0.0 111.187 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -125.49 -64.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.056 0.455 . . . . 0.0 111.041 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -118.22 0.06 11.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.599 0.714 . . . . 0.0 109.829 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -85.17 121.86 28.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.382 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 71' ' ' ILE . 21.4 pt -121.39 125.11 73.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.335 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -106.22 138.05 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.037 0.446 . . . . 0.0 110.512 -179.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 27' ' ' THR . 71.5 mt -96.96 105.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.927 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.4 -53.82 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.516 -173.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -139.33 141.64 37.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -144.51 107.02 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.037 174.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -112.5 106.64 1.91 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.931 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.3 122.83 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.505 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.516 HG13 HD12 ' A' ' 15' ' ' ILE . 77.1 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.842 0.354 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.76 -55.7 20.95 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.312 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -67.6 -25.41 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.882 0.341 . . . . 0.0 111.469 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.46 -48.6 78.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.317 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HG13 ' A' ' 15' ' ' ILE . 97.1 mt -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 81' ' ' MET . 9.2 mp -60.44 -47.47 85.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.495 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.05 -33.49 76.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.845 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.46 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.224 0.535 . . . . 0.0 110.709 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.09 -45.17 80.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.731 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 57' ' ' LEU . 60.5 t -63.24 -39.84 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.387 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.61 -40.67 97.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.124 0.488 . . . . 0.0 110.231 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -71.45 -27.77 63.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.177 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.66 -36.68 81.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.341 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -65.17 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.44 -65.71 0.65 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.059 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -101.34 16.05 26.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.1 71.16 0.6 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 74.4 mt -103.99 142.89 33.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.884 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -98.1 116.05 29.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.888 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 36' ' ' ILE . 55.7 mt -91.04 116.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.338 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 16.7 pt -121.97 123.01 68.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.049 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.22 115.55 28.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.792 0.33 . . . . 0.0 111.439 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -79.16 -36.28 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.95 122.6 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.39 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 p -58.91 -36.53 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.444 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 81' ' ' MET . 84.1 t80 -61.47 -56.21 22.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.209 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -60.17 -40.54 90.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.783 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 92.1 m-70 -85.04 -23.51 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.119 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.483 ' HB3' HD23 ' A' ' 57' ' ' LEU . 83.3 mmm -60.35 -55.45 33.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.71 -20.19 62.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.466 0.65 . . . . 0.0 110.336 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 33.1 tt0 -77.06 -26.86 54.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.385 -176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 84' ' ' LYS . 38.7 mmtm -93.4 2.22 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -117.74 106.79 13.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.744 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.33 -24.06 65.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.747 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -70.71 -13.69 62.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -103.27 -10.18 18.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.765 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 78.74 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.33 0.586 . . . . 0.0 110.602 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -164.39 -44.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.97 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 m -95.35 -15.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.712 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.21 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.43 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 HD11 ' A' ' 15' ' ' ILE . 62.9 mt -60.98 113.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -95.67 141.81 28.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.257 0.551 . . . . 0.0 111.013 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.11 143.05 33.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.119 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 -167.69 11.55 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.93 98.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.851 0.325 . . . . 0.0 110.992 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.14 27.96 15.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.59 0.556 . . . . 0.0 111.335 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.517 ' HB3' HG21 ' A' ' 27' ' ' THR . 14.7 ptmm? -149.2 148.56 29.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.042 0.449 . . . . 0.0 111.337 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -118.8 137.72 53.19 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -138.68 138.11 37.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.378 0.609 . . . . 0.0 111.405 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.641 HG13 HD22 ' A' ' 56' ' ' LEU . 53.5 mt -119.69 137.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.352 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.07 -153.54 25.38 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.918 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.0 t70 -70.01 -52.05 27.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.006 0.431 . . . . 0.0 111.496 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -160.87 -177.66 6.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.9 -29.01 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.38 -33.29 63.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.334 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 47.0 m-80 -122.27 55.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.125 -177.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.18 128.27 35.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -91.56 -19.12 23.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.104 0.478 . . . . 0.0 109.859 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.747 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.49 109.07 1.45 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.109 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.5 140.23 52.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.303 0.573 . . . . 0.0 110.964 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -130.73 133.37 63.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.055 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.517 HG21 ' HB3' ' A' ' 12' ' ' LYS . 72.5 p -110.73 139.05 46.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 -178.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -133.27 103.74 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.717 0.77 . . . . 0.0 109.438 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -114.69 159.25 20.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.453 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -83.65 128.18 34.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.412 HG22 HD12 ' A' ' 72' ' ' ILE . 14.2 m -101.21 -13.57 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.827 0.822 . . . . 0.0 108.835 169.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.0 t70 -155.34 176.66 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.174 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.27 -31.97 72.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 3.4 p-10 -124.56 15.04 8.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 111.278 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 45.6 mt-10 -130.18 130.46 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.484 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.3 pt -122.39 153.97 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.28 149.75 48.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.176 177.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.13 110.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.449 ' HB2' ' HG1' ' A' ' 27' ' ' THR . 9.6 m-20 -76.35 -65.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -116.13 137.74 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.363 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.425 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 17.2 m -140.19 88.67 2.23 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.747 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.77 74.65 0.23 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.831 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.83 102.85 14.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.227 0.537 . . . . 0.0 110.517 -179.551 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.502 HG13 HD13 ' A' ' 15' ' ' ILE . 49.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.11 97.89 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.759 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 25.9 ttmt -65.86 -39.99 91.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.526 0.203 . . . . 0.0 111.228 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -42.63 87.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.015 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD22 HG13 ' A' ' 15' ' ' ILE . 87.8 mt -65.21 -46.41 80.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.4 -35.34 80.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.82 -49.45 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.571 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.11 86.62 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.61 -46.51 94.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 88' ' ' TYR . 86.6 t -64.6 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.878 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.78 -43.81 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.359 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -63.7 -41.17 98.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.069 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.65 78.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -56.09 -48.62 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.31 -45.62 79.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.187 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.43 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -85.78 1.75 48.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.95 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.9 OUTLIER 64.34 33.01 11.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 61.0 mt -86.62 145.26 26.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.599 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 4.8 mptp? -96.53 139.21 32.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.6 mt -108.87 122.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.33 0.586 . . . . 0.0 112.3 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 31' ' ' VAL . 12.0 pt -123.76 108.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 170.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.8 111.24 20.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.296 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.4 t -72.33 -41.54 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.425 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 52.1 t -64.04 117.1 6.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.937 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 45.5 m -64.81 -16.8 63.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.154 -175.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.87 -50.03 58.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.52 62.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.273 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 38.4 ttmt -52.23 -57.37 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.586 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 57.6 m-70 -69.01 -21.45 64.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.7 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.3 ttm -73.07 -36.81 66.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 109.913 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.04 -29.45 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.293 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 74.8 mt-10 -68.64 -40.72 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.7 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 30.7 mmtp -85.94 -44.53 12.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.89 -169.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -87.48 118.78 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.12 -26.14 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.754 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -60.44 -24.78 65.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.819 0.343 . . . . 0.0 110.717 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 61' ' ' VAL . 24.0 m-85 -100.51 -22.86 14.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.826 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.1 tt0 -69.4 -14.44 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.442 -173.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.69 -40.64 92.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 111.13 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.63 7.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.604 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.826 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 69.6 t80 -100.49 136.41 40.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 70' ' ' LYS . 7.4 mp . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.273 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.339 0.59 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -78.75 93.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -84.51 116.7 23.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.599 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -100.32 138.88 36.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.361 0.6 . . . . 0.0 110.76 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.35 142.96 5.73 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.909 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 45.48 46.15 10.67 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.011 0.924 . . . . 0.0 113.181 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 69.51 16.48 8.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.968 0.507 . . . . 0.0 111.086 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HB2' HG21 ' A' ' 27' ' ' THR . 33.9 ttpt -125.32 127.13 46.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.258 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -101.1 104.01 15.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 35.5 p90 -120.03 126.8 51.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.413 0.625 . . . . 0.0 111.251 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.542 HG13 HD23 ' A' ' 56' ' ' LEU . 29.0 mt -90.27 115.01 28.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.504 173.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.4 163.6 30.07 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.954 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.46 -8.7 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.4 t70 -158.41 161.81 37.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.23 -40.68 94.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.291 . . . . 0.0 110.598 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -83.87 -3.83 58.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 35.7 m-80 -117.9 30.79 7.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.43 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 14' ' ' TYR . . . -76.25 109.75 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.055 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 -26.73 48.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.298 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -146.37 98.72 3.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.984 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.1 pt-20 -116.21 116.63 28.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.47 . . . . 0.0 111.356 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 60' ' ' VAL . 15.1 tt -106.42 118.32 53.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.156 0.503 . . . . 0.0 109.981 176.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 12' ' ' LYS . 82.2 p -110.3 140.04 44.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 -175.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.531 ' HB3' HG13 ' A' ' 38' ' ' ILE . 32.3 p90 -146.62 134.42 21.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.105 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 51.8 mtm180 -109.16 143.47 38.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.075 0.464 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -81.2 87.4 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.152 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.77 -20.5 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.217 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 23.2 t0 -153.07 52.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.441 0.638 . . . . 0.0 110.034 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.65 -77.29 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.942 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.421 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 4.1 m-20 -89.8 -9.55 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.852 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 2.9 tp10 -86.32 105.42 16.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.276 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.605 HD13 HG12 ' A' ' 71' ' ' ILE . 31.8 pt -105.87 116.52 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.63 0.729 . . . . 0.0 111.427 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' HG13 ' A' ' 72' ' ' ILE . 6.7 t30 -98.61 113.04 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 28' ' ' TYR . 2.2 mp -78.98 108.2 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.78 -56.04 9.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.712 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -152.59 142.88 22.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.956 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.491 HG23 HG21 ' A' ' 43' ' ' VAL . 22.2 m -108.9 89.2 2.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.63 78.9 1.94 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.601 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.5 HG22 ' HB1' ' A' ' 24' ' ' ALA . 43.9 t -104.65 121.65 56.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.47 0.653 . . . . 0.0 109.843 177.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.61 -52.44 52.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.55 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -74.22 -20.78 60.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.699 -0.295 . . . . 0.0 110.929 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.95 -40.6 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD23 HG13 ' A' ' 15' ' ' ILE . 73.9 mt -67.54 -50.66 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.64 -37.39 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -54.72 -55.36 30.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.756 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 HD12 ' A' ' 26' ' ' ILE . 59.6 t -67.6 -51.72 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.12 -178.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.59 -38.87 83.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.708 0.29 . . . . 0.0 110.912 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 35.1 tt0 -61.88 -50.83 70.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -66.97 -34.18 77.2 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.568 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -61.34 -52.49 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -62.12 -30.06 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.3 mt-10 -58.34 -47.75 82.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.989 0.423 . . . . 0.0 111.225 175.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.497 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 35.4 m-80 -101.8 12.34 37.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.806 -171.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 62.85 35.06 13.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.679 0.752 . . . . 0.0 110.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 64' ' ' ALA . 74.5 mt -82.95 134.89 35.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.686 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 8.8 mtmp? -103.07 131.18 50.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.112 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.605 HG12 HD13 ' A' ' 36' ' ' ILE . 42.1 mt -94.75 119.36 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.298 -169.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' ' 37' ' ' ASN . 16.1 pt -118.48 106.42 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.724 170.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.72 116.07 27.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.351 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.8 t -88.92 -16.53 31.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.41 138.72 31.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.683 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -59.43 -44.18 92.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.543 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.34 -57.78 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.421 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.87 93.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.388 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -65.36 -29.27 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -72.84 -38.81 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.979 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.2 mtp -69.91 -48.42 58.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.11 -30.96 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.397 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -84.83 -17.34 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -86.14 -29.69 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 109.63 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.41 111.62 22.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.159 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.39 -38.68 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.4 m -68.56 -28.16 66.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.132 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -80.47 -11.27 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.681 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.856 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 41.1 mt-30 -81.76 7.52 12.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.546 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.09 -55.6 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.372 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -9.67 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.769 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.856 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 59.0 t80 -83.21 119.36 24.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.193 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 70' ' ' LYS . 2.4 pt? . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.673 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.83 97.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.152 0.501 . . . . 0.0 110.383 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 10.6 mmmm -86.9 130.17 34.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.772 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.38 130.24 53.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.87 -146.71 8.8 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.312 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 85.05 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.989 0.516 . . . . 0.0 110.662 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.62 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 49.6 m-80 45.86 49.49 11.68 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.863 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CB ' HG23 ' A' ' 27' ' ' THR . 60.1 pttt -153.73 163.78 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.75 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -120.98 134.14 55.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 3.6 p90 -149.47 140.11 22.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 0.0 110.824 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.45 HG13 HD22 ' A' ' 56' ' ' LEU . 58.1 mt -125.09 124.82 68.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.169 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.3 -178.89 47.31 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.054 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.33 -25.99 38.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.792 0.806 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 23.0 t70 -153.48 169.13 23.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.804 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.409 0.623 . . . . 0.0 109.807 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -76.88 -34.08 57.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.759 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.6 m-20 -92.87 39.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.223 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 112.06 5.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.248 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -84.96 -31.91 23.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -139.78 105.37 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.08 177.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 148.75 45.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.963 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.29 117.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.238 0.542 . . . . 0.0 110.051 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.415 HG23 ' CB ' ' A' ' 12' ' ' LYS . 39.3 p -107.04 139.67 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.081 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -131.13 165.07 24.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.62 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.6 153.42 43.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.397 178.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.42 100.44 13.04 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -78.54 -41.75 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.941 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.85 -88.52 0.62 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.764 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -123.91 -65.93 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.242 -0.287 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 91.9 m-20 -113.41 -5.39 13.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.211 0.529 . . . . 0.0 110.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.87 114.51 15.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.458 HD13 HG12 ' A' ' 71' ' ' ILE . 23.6 pt -104.03 123.38 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.206 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' HA ' HG13 ' A' ' 72' ' ' ILE . 35.7 t30 -102.58 118.19 36.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.819 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.0 110.74 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -60.52 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.973 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -124.04 147.39 47.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.99 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -132.43 88.17 2.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.089 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.81 61.22 4.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.97 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 75.0 t -97.11 122.69 48.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 121.623 0.725 . . . . 0.0 111.149 -179.426 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.56 0.219 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.98 94.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.668 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -78.91 -22.9 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.519 0.199 . . . . 0.0 110.476 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -60.22 -53.7 54.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -69.09 -39.51 78.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.44 -42.35 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -64.28 -40.96 97.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.238 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.7 89.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.877 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 56' ' ' LEU . 96.0 t -66.31 -52.08 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.469 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.2 t -58.54 -46.9 89.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 31.5 tt0 -60.09 -48.04 83.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.374 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.482 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 78.0 t60 -69.65 -31.69 69.92 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.965 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.3 92.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.253 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -62.5 -33.43 74.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.518 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 42.8 mt-10 -60.31 -49.6 76.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.045 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -99.49 11.77 38.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.849 -172.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 59.82 37.31 21.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.623 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 83.2 mt -84.16 150.83 25.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.546 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.01 123.79 48.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.657 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.538 ' HB ' ' HA ' ' A' ' 92' ' ' TYR . 58.2 mt -92.57 120.85 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.88 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' A' ' 37' ' ' ASN . 29.9 pt -128.75 155.29 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.904 171.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.24 126.55 19.97 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.868 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -84.04 -25.48 29.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.98 107.5 9.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.989 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 17.2 m -62.18 -28.44 69.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.663 -176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.96 -53.0 63.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.307 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HA ' ' HE2' ' A' ' 81' ' ' MET . . . -72.58 -36.21 68.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 61.9 tttm -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.3 -22.78 61.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.231 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.467 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 68.7 mtm -71.92 -38.78 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.038 0.447 . . . . 0.0 109.993 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD23 ' CD2' ' A' ' 88' ' ' TYR . 46.6 mt -71.85 -33.38 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.222 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.25 -30.4 62.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -80.49 -27.93 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 88' ' ' TYR . 6.5 tp10 -90.52 106.01 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.221 0.534 . . . . 0.0 110.189 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.39 -28.43 68.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 m -75.19 -0.58 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 85' ' ' GLU . 21.0 m-30 -105.19 -3.36 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.074 -0.391 . . . . 0.0 111.306 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -81.62 28.22 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -173.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.74 -21.11 12.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.856 0.36 . . . . 0.0 110.121 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 m -120.28 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.538 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 30.4 t80 -80.28 127.45 32.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.979 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -176.757 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB2' ' HZ1' ' A' ' 7' ' ' LYS . 6.3 mm-40 . . . . . 0 C--O 1.235 0.3 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.485 HG12 HD13 ' A' ' 15' ' ' ILE . 57.9 mt -73.8 106.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.901 0.381 . . . . 0.0 109.988 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.486 ' HZ1' ' HB2' ' A' ' 5' ' ' GLU . 61.1 mttp -102.01 137.9 39.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.062 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.32 149.26 22.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.8 0.333 . . . . 0.0 110.173 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 -166.76 14.17 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.978 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 21.8 mp0 -63.46 101.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.26 0.224 . . . . 0.0 110.716 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 m120 60.52 27.08 16.73 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.618 0.573 . . . . 0.0 111.432 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HB3' HG22 ' A' ' 27' ' ' THR . 22.5 pttm -157.19 160.05 38.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 0.0 112.039 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.24 134.45 50.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -136.97 138.64 40.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.469 0.652 . . . . 0.0 111.718 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.65 HG13 HD22 ' A' ' 56' ' ' LEU . 42.7 mt -110.76 123.0 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.787 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 174.55 163.39 27.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.133 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' HD21 ' A' ' 21' ' ' ASN . 20.2 t70 -67.8 -42.89 80.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.586 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -132.93 167.01 21.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.211 0.529 . . . . 0.0 109.914 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -85.83 -31.3 22.35 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.514 HD21 ' HB3' ' A' ' 17' ' ' ASP . 62.9 t30 -98.84 43.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.879 -177.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -80.36 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.005 177.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -86.76 -18.97 29.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.701 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.695 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.55 112.54 1.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.85 140.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.219 0.533 . . . . 0.0 110.617 177.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.46 130.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.347 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 12' ' ' LYS . 70.3 p -111.12 138.33 47.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -118.85 119.65 34.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -102.77 148.55 25.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -97.76 106.79 19.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.728 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -86.33 -42.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.778 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.99 99.91 2.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 0.0 111.63 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 60.6 -82.76 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.711 172.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -118.09 1.42 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.97 111.51 23.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -111.44 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.1 p30 -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.98 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.493 HG22 ' CB ' ' A' ' 78' ' ' ALA . 2.1 mp -70.69 110.84 3.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.46 -42.75 13.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.737 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -140.43 141.4 35.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.2 m -146.97 97.62 2.92 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.695 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -107.51 91.13 0.68 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.439 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 24' ' ' ALA . 47.4 t -106.05 106.53 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.819 0.343 . . . . 0.0 110.703 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.644 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.857 0.361 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 57' ' ' LEU . . . -61.37 -39.35 97.14 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.305 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -68.43 -35.17 77.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.552 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.06 -38.84 82.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.311 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.65 HD22 HG13 ' A' ' 15' ' ' ILE . 74.2 mt -61.07 -48.39 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.968 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' HG21 ' A' ' 61' ' ' VAL . 7.1 mp -54.98 -47.52 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.747 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 25.0 ttpp -57.87 -46.66 84.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.87 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.024 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 56' ' ' LEU . 89.4 t -62.77 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.06 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 57' ' ' LEU . 91.2 t -58.75 -44.65 90.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 38.1 mm-40 -55.89 -56.8 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.994 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -62.78 -39.42 94.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.754 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.19 97.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -33.02 75.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.233 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 48.5 mt-10 -69.59 -35.75 75.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.802 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.55 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m120 -96.94 -0.46 47.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.312 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.8 t30 57.59 47.11 16.54 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.825 0.821 . . . . 0.0 110.651 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.2 mt -90.35 147.56 23.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.818 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -106.04 137.03 44.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -110.57 126.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 0.0 112.682 -169.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.2 pt -125.43 176.8 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.504 167.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.6 129.56 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.268 -0.573 . . . . 0.0 112.035 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -90.65 -32.66 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.13 119.9 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.113 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -63.52 -36.19 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.91 -46.73 81.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.493 ' CB ' HG22 ' A' ' 38' ' ' ILE . . . -74.65 -38.81 62.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.9 -40.52 80.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -66.87 -33.5 75.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.443 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 74.7 mtm -73.5 -43.16 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.789 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.5 -30.55 71.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.042 0.448 . . . . 0.0 110.944 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.33 -25.41 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.056 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.12 -32.77 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -120.79 117.2 26.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 0.0 110.052 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 17.3 m-20 -77.05 3.94 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.489 -173.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 m -74.5 -16.1 60.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.948 0.404 . . . . 0.0 110.503 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -87.98 1.13 54.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.838 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 86' ' ' ASP . 47.6 mt-30 -62.8 -14.83 50.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.03 -36.56 80.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.193 0.521 . . . . 0.0 110.998 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG21 HG22 ' A' ' 61' ' ' VAL . 15.2 m -110.0 -39.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -84.29 112.96 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 -178.378 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.178 0.514 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 59' ' ' ALA . 56.5 mt -78.71 105.8 8.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.487 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -94.39 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -79.7 156.5 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.764 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.66 -158.7 10.14 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.828 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.63 90.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.375 0.67 . . . . 0.0 112.361 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.16 23.79 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.941 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.42 148.01 22.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.861 -177.094 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -105.22 133.99 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -134.8 150.83 50.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.389 0.614 . . . . 0.0 111.71 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -123.2 116.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.047 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.68 166.6 30.66 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.176 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.63 -35.29 80.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -159.48 168.38 26.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 38.8 mt-10 -71.57 -22.5 61.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.66 0.664 . . . . 0.0 111.281 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.44 -31.32 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -110.01 31.19 6.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.716 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -67.27 106.72 2.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.02 -37.09 69.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 43' ' ' VAL . . . -155.65 128.79 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -138.61 143.04 39.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.172 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.94 113.13 36.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 32.6 p -89.12 140.66 29.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.187 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 44.4 p90 -134.91 128.79 33.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.221 0.534 . . . . 0.0 110.398 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.67 166.57 12.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.885 -178.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -101.22 105.98 17.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.0 -26.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -136.63 -75.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.692 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -165.23 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' HD23 ' A' ' 69' ' ' LEU . 60.4 t30 -89.46 -6.59 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.938 0.875 . . . . 0.0 109.747 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.809 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 34.5 mt-10 -107.38 115.34 29.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.722 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 33.5 pt -112.55 135.34 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.148 0.499 . . . . 0.0 110.851 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.2 p-10 -109.37 138.56 45.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -178.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 27' ' ' THR . 3.1 mp -85.24 102.26 10.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -58.81 -68.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.34 0.591 . . . . 0.0 110.395 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 14.4 p-80 -132.57 149.45 52.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.098 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 HG23 ' A' ' 43' ' ' VAL . 12.0 m -113.32 94.45 4.88 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -80.76 63.09 4.3 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.758 -172.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.506 HG23 HG23 ' A' ' 41' ' ' THR . 92.8 t -96.16 119.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.028 179.036 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.55 -38.27 80.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -79.61 -21.84 44.43 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.552 -0.381 . . . . 0.0 110.806 -176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.49 -35.91 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 109.864 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -69.25 -41.12 77.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.49 -42.57 92.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.86 -46.11 78.3 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.567 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . -53.52 -49.45 67.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.448 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.04 -45.77 62.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.346 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.59 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.639 0.257 . . . . 0.0 111.093 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.41 -52.15 66.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.467 . . . . 0.0 110.492 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -70.17 -27.03 64.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.071 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.92 87.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.331 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.906 HH12 ' HB2' ' A' ' 90' ' ' ASP . 14.5 mmt180 -57.79 -41.11 81.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.101 0.477 . . . . 0.0 110.536 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.52 -56.69 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.612 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.529 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -87.99 -4.44 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.021 -170.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.9 OUTLIER 66.94 34.49 5.26 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.09 0.472 . . . . 0.0 110.198 -178.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 63.7 mt -73.61 151.7 40.77 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.398 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.809 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 89.6 mttt -92.76 135.08 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.535 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 49.6 mm -108.69 115.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.109 0.48 . . . . 0.0 111.6 -176.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.8 148.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.201 171.245 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.84 140.07 52.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.8 t -92.99 -37.68 12.07 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.2 t -63.69 117.41 6.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.384 177.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -56.89 -38.54 72.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.02 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -57.82 -56.87 16.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.24 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.23 -45.13 91.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.536 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -70.56 -26.41 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.168 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 24.7 ttp -77.98 -42.63 32.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.23 -28.85 69.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.79 -19.13 55.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.503 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -97.54 -41.05 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.547 -175.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -88.31 141.99 28.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.326 0.584 . . . . 0.0 111.512 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.45 -27.95 56.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.051 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 p -64.33 -15.92 61.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -105.37 -3.05 23.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.6 0.238 . . . . 0.0 111.075 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.3 1.34 9.68 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.166 0.507 . . . . 0.0 112.178 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.906 ' HB2' HH12 ' A' ' 65' ' ' ARG . 46.4 m-20 -95.37 -39.78 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.96 0.409 . . . . 0.0 110.706 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 m -99.33 -34.85 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 33.3 t80 -71.67 127.02 31.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.909 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.791 -178.644 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.442 HD11 ' HG2' ' A' ' 55' ' ' LYS . 54.8 mt -91.6 116.41 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.665 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.16 120.42 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 135.48 36.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.88 -172.09 22.27 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.438 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.88 99.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 111.731 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.5 m120 62.66 15.48 8.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.718 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HB3' HG22 ' A' ' 27' ' ' THR . 8.5 ptpp? -142.53 140.15 31.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.365 0.603 . . . . 0.0 111.976 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -120.72 122.22 39.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 30.5 p90 -138.85 145.9 40.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.208 0.528 . . . . 0.0 112.045 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.622 HG13 HD23 ' A' ' 56' ' ' LEU . 68.3 mt -111.09 119.93 60.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.734 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.8 175.72 37.83 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.13 -28.21 20.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.424 0.612 . . . . 0.0 110.276 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -138.61 166.59 23.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.98 -28.52 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.628 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.02 -53.17 33.82 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -99.0 33.59 2.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.77 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.84 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.14 -34.5 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.62 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.92 123.75 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 174.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -127.24 138.04 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.603 174.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -120.73 131.09 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.075 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 12' ' ' LYS . 33.9 p -117.36 137.84 52.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 35.1 p90 -135.27 139.35 44.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.032 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -127.2 141.33 51.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -76.41 111.25 11.67 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -82.4 -43.96 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.341 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 15.6 t70 -116.73 -77.94 0.57 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.229 -177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.98 -78.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -95.0 -3.46 48.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.27 0.557 . . . . 0.0 110.316 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.518 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 52.6 mp0 -81.47 110.57 17.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.998 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.454 HD13 HG12 ' A' ' 71' ' ' ILE . 33.9 pt -104.76 132.25 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.3 p30 -109.09 132.03 54.5 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.778 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.55 104.31 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.442 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.79 -43.83 57.73 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.656 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -149.38 137.1 20.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.092 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.484 HG22 HG21 ' A' ' 43' ' ' VAL . 48.5 m -135.35 99.08 4.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -101.6 85.51 0.56 Allowed Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.732 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 41' ' ' THR . 52.8 t -97.58 105.79 17.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.258 0.552 . . . . 0.0 109.712 177.404 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 HD13 ' A' ' 15' ' ' ILE . 61.7 t . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.53 94.16 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.852 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.584 0.231 . . . . 0.0 110.93 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.8 ttmm -64.69 -37.06 86.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 110.174 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.622 HD23 HG13 ' A' ' 15' ' ' ILE . 95.5 mt -66.32 -50.35 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.26 -35.73 78.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.48 -48.0 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.93 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.7 t -63.62 -54.02 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.588 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 91.9 t -61.51 -37.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.701 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -55.34 -52.15 64.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 110.385 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -67.81 -30.67 70.14 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.52 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.364 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 17.7 mmm180 -67.07 -43.4 82.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.364 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.52 -61.2 2.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.132 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -89.42 -8.2 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 68.09 84.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.897 0.856 . . . . 0.0 109.641 -174.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.49 148.48 37.8 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.732 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HB3' HD12 ' A' ' 93' ' ' LEU . 97.0 mttt -105.33 123.69 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 HD13 ' A' ' 36' ' ' ILE . 64.2 mt -99.94 117.64 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.216 0.531 . . . . 0.0 112.092 -172.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 15.3 pt -117.55 148.93 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.056 170.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 79' ' ' LYS . . . -115.38 117.16 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.893 0.378 . . . . 0.0 111.712 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -88.8 -25.77 22.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.23 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.2 t -81.9 124.4 29.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.901 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m -61.77 -45.22 94.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.475 ' HE2' ' HB ' ' A' ' 43' ' ' VAL . 72.4 t80 -60.14 -41.03 91.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.07 84.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.039 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 39.0 ttpt -63.4 -36.89 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -66.25 -30.71 71.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.272 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.5 mtp -73.45 -36.99 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.47 -38.35 89.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.24 -33.77 76.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.337 175.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -70.8 -49.61 44.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -99.17 92.0 5.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 109.979 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -72.11 -8.37 54.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.101 -174.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -64.0 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 0.0 110.441 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CD1' HG22 ' A' ' 61' ' ' VAL . 21.3 m-85 -85.46 -13.76 48.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.737 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 mt-30 -76.32 5.02 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.66 -39.38 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 109.933 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.8 m -98.73 2.02 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.682 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.737 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 33.9 t80 -88.97 114.42 25.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.555 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 70' ' ' LYS . 2.5 mp . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.981 0.42 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.484 HG12 HD13 ' A' ' 15' ' ' ILE . 55.9 mt -86.36 114.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.937 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 148.95 22.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.459 ' N ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -112.99 129.51 56.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.99 0.424 . . . . 0.0 111.326 -173.286 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.32 -173.23 13.26 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.785 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 26.6 mt-10 -70.46 100.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.498 0.189 . . . . 0.0 110.888 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 27' ' ' THR . 12.4 m120 72.74 9.98 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.104 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HB3' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -139.42 143.22 37.54 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.091 -0.644 . . . . 0.0 112.377 -179.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -112.23 127.13 55.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.729 ' HH ' ' HG3' ' A' ' 19' ' ' GLU . 38.2 p90 -131.61 133.97 45.53 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.459 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 6' ' ' ILE . 69.1 mt -111.3 127.13 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.934 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.69 175.26 40.5 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.385 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.12 -37.27 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.215 0.531 . . . . 0.0 110.565 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -146.18 170.25 17.11 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.729 ' HG3' ' HH ' ' A' ' 14' ' ' TYR . 7.4 mp0 -61.86 -36.76 82.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.78 -37.09 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.136 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.43 37.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.73 105.12 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.094 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.06 -31.37 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -150.87 117.68 5.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -122.88 139.37 54.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.125 0.488 . . . . 0.0 110.318 175.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' HB ' HG23 ' A' ' 41' ' ' THR . 13.5 tt -125.72 123.68 64.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.738 ' HG1' ' HB3' ' A' ' 39' ' ' ASP . 28.3 p -105.36 138.12 42.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.548 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.8 p90 -146.28 137.71 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -139.41 144.97 38.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.646 0.26 . . . . 0.0 110.848 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -68.42 110.22 4.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.935 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.13 -27.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 0.0 110.468 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.26 94.61 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 59.4 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.585 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -104.38 -14.4 15.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.622 0.249 . . . . 0.0 111.47 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' CG ' ' HD2' ' A' ' 70' ' ' LYS . 45.8 mt-10 -80.99 117.16 21.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 0.0 111.105 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 pt -109.26 121.66 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 4.2 t-20 -94.06 120.46 34.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.441 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.541 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.5 mp -80.15 107.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.738 ' HB3' ' HG1' ' A' ' 27' ' ' THR . 35.9 t70 -74.46 -60.89 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.194 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 23.7 p-80 -144.34 144.51 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.091 0.472 . . . . 0.0 111.001 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.507 HG23 ' HB ' ' A' ' 26' ' ' ILE . 17.4 m -134.73 100.73 4.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.286 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.762 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.83 114.03 4.89 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.365 -175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.52 109.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.019 179.704 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.5 -28.63 73.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.176 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.535 ' HE2' ' OH ' ' A' ' 88' ' ' TYR . 12.6 tptm -64.77 -36.06 83.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 110.225 -178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.13 -37.31 69.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.456 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.41 HD23 HG13 ' A' ' 15' ' ' ILE . 89.3 mt -61.46 -46.92 88.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.74 -46.08 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.716 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.62 -39.25 83.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.61 98.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.5 -49.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.489 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 HG11 HG21 ' A' ' 91' ' ' VAL . 85.4 t -58.21 -40.86 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -55.11 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -71.7 -25.49 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.561 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.49 -54.43 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.652 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -59.73 -38.81 82.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.442 0.639 . . . . 0.0 109.602 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.71 -41.26 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.107 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.49 15.88 9.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.63 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 54.16 56.94 6.39 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.329 0.585 . . . . 0.0 111.229 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 87.4 mt -96.08 139.9 31.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 96.3 mttt -87.07 114.34 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.653 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.407 HD13 HG22 ' A' ' 91' ' ' VAL . 41.6 mt -86.0 113.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 111.117 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 37' ' ' ASN . 12.8 pt -123.09 106.75 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -97.46 118.79 34.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.25 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 m -90.18 -28.39 18.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.457 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 42.6 t -67.15 117.08 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.854 176.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -58.14 -35.96 72.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.993 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -62.76 -46.81 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.643 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.78 55.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -58.53 -46.27 87.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.605 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -72.99 -23.47 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.831 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 33.4 ttm -74.18 -41.65 61.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.18 -32.85 74.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.288 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -70.19 -23.67 63.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.87 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -73.69 -52.83 11.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.434 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -99.86 128.94 45.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.96 0.41 . . . . 0.0 110.443 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.21 -9.95 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.379 -172.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 m -79.55 1.34 26.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.695 0.283 . . . . 0.0 111.682 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 66.4 m-85 -105.43 -14.49 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -70.62 -0.4 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -76.86 -47.35 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 110.224 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.489 HG21 HG11 ' A' ' 61' ' ' VAL . 6.4 m -99.38 -26.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.224 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -82.5 129.28 34.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.236 0.541 . . . . 0.0 110.889 -177.17 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.659 HD11 ' HG3' ' A' ' 55' ' ' LYS . 65.7 mt -96.47 108.23 20.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.989 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.11 135.16 33.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.07 140.05 32.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.904 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -151.89 5.52 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.109 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.39 89.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.989 0.515 . . . . 0.0 111.506 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m120 55.11 26.55 8.34 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.506 0.504 . . . . 0.0 110.921 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 27' ' ' THR . 19.7 ptpt -136.83 153.61 50.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.569 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 69.1 m-85 -122.84 117.62 26.04 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -127.76 134.19 49.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.457 0.646 . . . . 0.0 112.253 -174.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.5 125.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.94 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . -177.78 172.13 44.75 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.153 -1.022 . . . . 0.0 112.305 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.51 -26.48 55.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.626 0.727 . . . . 0.0 110.099 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.46 162.0 40.49 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.94 -33.84 72.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.109 0.481 . . . . 0.0 110.182 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -80.84 -21.77 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.985 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.24 35.61 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.413 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -71.45 113.47 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.112 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.53 -5.41 54.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.945 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.2 109.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.97 152.73 52.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.078 0.466 . . . . 0.0 111.443 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.31 131.71 58.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.24 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 12' ' ' LYS . 73.6 p -121.08 138.55 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -138.58 127.95 24.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.975 0.416 . . . . 0.0 110.095 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -113.28 145.93 40.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.67 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.74 ' HB3' ' HA ' ' A' ' 33' ' ' ASN . 76.4 m-85 -80.44 102.92 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.417 -176.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.6 m -85.52 -26.16 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 0.0 110.519 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 28.9 t70 -134.8 8.69 3.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.266 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.74 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 4.6 m-20 72.62 -56.06 0.66 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.76 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.04 -36.19 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 109.664 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.603 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 44.2 mt-10 -93.73 121.04 34.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 174.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.539 HD11 HG12 ' A' ' 71' ' ' ILE . 38.1 pt -110.67 138.97 36.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.706 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -114.4 119.03 35.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.88 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.98 101.92 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.67 -58.68 2.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.183 -168.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.584 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 81.2 t60 -127.48 141.45 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.363 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -147.76 102.64 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.83 106.52 2.18 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.5 126.59 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.551 0.215 . . . . 0.0 110.989 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.548 175.122 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t . . . . . 0 C--O 1.236 0.369 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.55 -25.35 68.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.11 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 16.2 tppt? -58.59 -36.67 74.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.319 176.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.659 ' HG3' HD11 ' A' ' 6' ' ' ILE . 41.3 tptt -71.1 -57.32 4.63 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.383 0.611 . . . . 0.0 110.21 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.02 -47.9 84.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.47 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.24 -25.08 61.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.017 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 24.1 ttpp -58.4 -51.49 69.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.37 75.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.992 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.28 -49.47 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.8 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -42.36 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 60.6 mt-10 -61.23 -47.24 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.919 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -70.38 -31.72 69.07 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 69' ' ' LEU . . . -61.08 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.165 175.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.48 -36.71 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.292 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.9 mt-10 -57.98 -39.64 78.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.187 0.518 . . . . 0.0 111.029 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.545 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 31.0 m-80 -110.78 10.86 22.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.858 -173.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 54.56 43.0 30.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.171 0.51 . . . . 0.0 110.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.545 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 79.4 mt -83.58 142.38 30.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.24 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.02 120.46 32.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.539 HG12 HD11 ' A' ' 36' ' ' ILE . 36.4 mt -94.06 120.09 42.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.267 0.556 . . . . 0.0 112.009 -174.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -126.64 159.01 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.672 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 136.75 37.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.5 m -90.22 -31.28 17.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.439 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 98.5 m -75.34 123.63 25.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.059 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -57.18 -38.79 74.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.231 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.84 -47.7 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.079 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -78.9 -41.42 29.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.082 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.46 -51.3 70.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.623 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 9.8 t60 -72.6 -19.05 61.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.776 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -70.47 -42.19 71.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 88' ' ' TYR . 46.5 mt -58.74 -38.51 78.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.626 177.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HG2' ' CE2' ' A' ' 92' ' ' TYR . 31.8 mt-10 -74.26 -22.4 59.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.25 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -80.14 -44.99 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -109.6 144.65 37.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.2 0.524 . . . . 0.0 111.816 -170.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.94 -36.42 74.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.674 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 p -57.05 -41.68 79.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.873 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 82' ' ' LEU . 20.9 m-85 -81.13 -31.14 34.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.51 -25.26 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.27 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.5 -37.35 67.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.09 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.69 11.1 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.95 0.405 . . . . 0.0 111.666 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 52.5 t80 -95.31 135.02 37.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.086 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.155 -179.132 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.489 HG12 HD11 ' A' ' 15' ' ' ILE . 58.4 mt -76.5 106.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.917 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -86.38 116.98 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.106 0.479 . . . . 0.0 110.61 -177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.621 ' HG2' ' HE1' ' A' ' 13' ' ' PHE . 27.8 mt-30 -73.15 121.39 20.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.728 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.0 -161.23 11.48 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.762 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.7 95.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 0.0 110.752 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.18 23.39 12.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.364 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.4 ptpt -140.21 160.45 39.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.345 0.593 . . . . 0.0 112.145 -173.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.621 ' HE1' ' HG2' ' A' ' 8' ' ' GLN . 36.0 m-85 -122.68 114.5 20.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.407 168.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.73 150.02 50.46 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.641 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.499 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 47.6 mt -142.39 149.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.031 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.78 -178.65 39.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.79 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.19 -28.43 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 109.424 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -156.25 168.1 28.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.532 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.64 -28.5 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.231 0.539 . . . . 0.0 110.095 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.67 -34.72 67.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.384 0.611 . . . . 0.0 110.127 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -107.93 44.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.202 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 116.78 6.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.513 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 44' ' ' SER . 95.8 mt -88.25 -4.12 58.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.54 0.686 . . . . 0.0 109.717 176.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 15' ' ' ILE . . . -140.47 125.7 18.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.073 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -154.98 114.59 3.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 13.8 tt -144.15 134.97 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.687 0.279 . . . . 0.0 110.945 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 12' ' ' LYS . 39.7 p -123.09 139.51 54.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 16.2 p90 -125.12 100.16 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.367 0.603 . . . . 0.0 110.571 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -95.76 136.35 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -175.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -75.75 121.04 21.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.923 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 72' ' ' ILE . 15.6 m -103.11 -49.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.654 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 12.4 t70 -110.08 -82.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.439 -175.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -137.44 -46.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.732 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -130.07 0.43 4.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.388 0.613 . . . . 0.0 110.02 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.654 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 32.1 mp0 -81.28 107.55 14.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.325 -176.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 13.9 pt -90.27 110.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.478 0.656 . . . . 0.0 109.82 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HA ' HG13 ' A' ' 72' ' ' ILE . 34.2 t30 -87.28 112.25 21.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.478 -177.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.99 100.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 109.42 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 9.7 t70 -84.48 -58.6 2.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.467 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 14.0 t60 -108.99 133.87 52.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.376 -174.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.54 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 30.1 m -143.64 104.47 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.455 . . . . 0.0 110.442 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.16 106.1 1.09 Allowed Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.654 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.18 154.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.628 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.442 0.639 . . . . 0.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.94 97.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.72 -46.34 82.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.75 0.309 . . . . 0.0 110.44 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -58.49 -42.61 87.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.99 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 24' ' ' ALA . 95.8 mt -67.18 -54.28 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.983 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD21 ' HE1' ' A' ' 81' ' ' MET . 24.0 tp -65.73 -41.78 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.145 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -61.91 -38.78 89.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.682 0.277 . . . . 0.0 110.518 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.87 99.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.49 -49.55 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.59 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.485 HG12 HG11 ' A' ' 91' ' ' VAL . 99.3 t -58.41 -37.96 66.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.159 0.504 . . . . 0.0 111.017 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.23 -55.03 38.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -71.66 -27.48 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.725 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.82 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.11 -35.49 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.657 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.68 -45.2 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.05 8.24 40.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.452 -176.367 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 59.2 39.19 23.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.772 0.796 . . . . 0.0 110.344 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.15 157.76 21.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.429 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.5 ' HD2' HD12 ' A' ' 93' ' ' LEU . 72.1 mmtt -113.46 135.36 53.96 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.96 125.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 112.062 -172.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.491 HD11 HG21 ' A' ' 31' ' ' VAL . 31.5 pt -130.53 161.5 40.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.622 171.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.61 137.61 42.09 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.737 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -104.82 -16.97 14.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.439 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.54 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 50.6 t -76.57 127.92 33.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.885 175.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -62.42 -41.21 98.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.33 -53.03 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.757 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.72 96.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.9 ttmt -59.23 -50.64 73.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -68.98 -26.29 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.12 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.522 ' HE1' HD21 ' A' ' 57' ' ' LEU . 35.5 ttp -72.06 -37.62 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 109.977 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 57' ' ' LEU . 79.4 mt -69.51 -39.87 77.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.671 175.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 43.8 mt-10 -68.34 -28.28 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 85' ' ' GLU . 2.4 tmtt? -64.28 -60.61 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.137 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 5.0 tp10 -84.81 134.19 34.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.56 -172.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.49 -37.52 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.816 -173.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -68.07 -28.15 67.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 23.8 m-85 -76.86 -13.07 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.521 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -77.63 1.48 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.12 -49.1 11.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 110.152 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 61' ' ' VAL . 23.1 m -83.9 -20.18 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.106 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -91.34 110.34 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.146 0.498 . . . . 0.0 109.803 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 70' ' ' LYS . 6.2 mp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.153 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.652 HD12 ' HG2' ' A' ' 55' ' ' LYS . 64.7 mt -62.07 113.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.948 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HA ' ' HZ3' ' A' ' 7' ' ' LYS . 1.2 mmpm? -89.43 112.73 23.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -86.45 120.09 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.501 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.17 173.14 14.56 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.02 101.52 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.634 0.217 . . . . 0.0 110.918 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 m-20 65.68 20.31 11.53 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.545 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HB3' HG23 ' A' ' 27' ' ' THR . 52.0 pttt -143.36 117.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.146 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -101.25 111.59 23.85 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -125.81 147.16 49.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.962 0.411 . . . . 0.0 110.625 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.501 HD12 HG13 ' A' ' 52' ' ' VAL . 50.9 mt -125.77 121.78 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.423 0.63 . . . . 0.0 110.308 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.35 -176.42 42.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.726 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.44 -25.65 25.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.06 0.43 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 12.8 t70 -142.33 145.06 33.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.46 -32.06 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.288 . . . . 0.0 110.994 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -67.04 -34.84 78.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 18' ' ' ASP . 5.0 p30 -123.52 45.23 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.374 0.607 . . . . 0.0 110.734 -176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.48 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.464 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.61 -26.86 41.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.054 0.454 . . . . 0.0 110.525 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.68 130.46 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.293 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.54 144.27 34.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 111.101 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 60' ' ' VAL . 10.5 tt -131.31 125.58 57.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.876 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 12' ' ' LYS . 16.2 p -115.26 139.13 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.99 0.424 . . . . 0.0 111.777 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 11' ' ' ASN . 37.2 p90 -124.47 125.53 44.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.154 178.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -109.4 132.33 54.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.935 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -78.3 100.29 6.66 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.01 -40.85 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.53 -84.18 0.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.591 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.22 -90.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.331 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -107.73 18.16 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 108.536 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 38.2 mt-10 -89.5 116.1 27.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.622 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.52 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 22.9 pt -102.9 123.93 56.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.586 -173.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 t-20 -93.81 111.84 23.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.16 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' THR . 70.2 mt -74.72 95.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 171.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.716 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 32.3 t70 -85.48 -29.63 24.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.71 -171.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 78.1 t60 -142.61 134.26 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.442 0.639 . . . . 0.0 111.485 -178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 25.6 m -144.9 105.04 4.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.889 171.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.52 138.24 13.16 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.114 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.94 121.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.261 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG13 HD12 ' A' ' 15' ' ' ILE . 69.9 t . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.563 0.221 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.57 -38.6 96.65 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.359 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.81 -41.9 97.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.652 ' HG2' HD12 ' A' ' 6' ' ' ILE . 38.7 ttpt -71.35 -33.99 70.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 60' ' ' VAL . 80.4 mt -62.25 -52.36 64.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.986 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.44 -38.33 86.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.894 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -56.9 -46.15 82.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.185 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.92 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.426 HG21 HD12 ' A' ' 26' ' ' ILE . 68.6 t -61.94 -52.2 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.85 -40.18 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.5 -47.09 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.77 -30.36 70.56 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.098 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -50.53 64.83 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.41 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -61.53 -38.57 87.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.644 0.259 . . . . 0.0 110.416 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.61 -45.51 66.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.573 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.58 6.54 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.506 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 52.82 65.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.69 0.757 . . . . 0.0 110.117 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.87 150.98 19.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.051 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 50.2 mtpt -101.94 115.75 31.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.06 131.87 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.0 111.996 -173.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 20.4 pt -134.37 144.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.026 170.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.62 142.4 50.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.288 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.716 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 16.4 p -103.86 -38.23 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 11.8 m -62.93 119.54 9.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.219 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -57.27 -42.14 81.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.602 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.527 ' O ' ' HG3' ' A' ' 81' ' ' MET . 83.7 t80 -57.58 -56.53 20.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.789 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' A' ' 41' ' ' THR . . . -66.45 -35.19 79.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -57.66 -50.34 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.812 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 80.5 m-70 -71.17 -15.64 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -177.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 93.3 mtp -72.36 -44.44 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 175.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.93 -39.58 61.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.339 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 40.5 tt0 -64.35 -28.9 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -71.02 -43.68 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.392 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -92.03 127.84 37.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.301 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.9 -38.28 81.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.479 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 t -71.19 -24.94 62.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.831 0.348 . . . . 0.0 111.61 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -84.93 -14.61 47.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.685 0.279 . . . . 0.0 111.082 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.65 3.21 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.85 -41.12 16.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.4 -26.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.67 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -82.99 139.33 33.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 70' ' ' LYS . 10.3 mp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.259 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -86.36 95.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.07 156.84 26.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.42 146.73 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.481 0.658 . . . . 0.0 111.744 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.24 -174.1 13.22 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -69.88 105.33 2.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.242 0.521 . . . . 0.0 110.659 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 11' ' ' ASN . 6.3 m120 63.1 30.19 16.16 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.683 0.614 . . . . 0.0 111.375 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG23 ' A' ' 27' ' ' THR . 56.4 pttt -159.25 165.27 33.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 112.04 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -131.01 149.38 52.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 32.9 p90 -151.22 142.63 23.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.245 0.545 . . . . 0.0 111.229 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.725 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 55.5 mt -110.95 123.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.266 174.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.76 173.86 36.21 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.95 -48.66 73.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.7 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.08 -175.38 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.591 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -67.78 -18.28 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.833 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -132.1 60.04 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.85 92.85 8.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.55 -13.86 50.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 0.0 110.32 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -132.3 97.9 4.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.771 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -113.83 135.59 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.897 -173.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' A' ' 56' ' ' LEU . 14.5 tt -151.4 127.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.962 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.84 ' HG1' ' HB3' ' A' ' 39' ' ' ASP . 21.6 p -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.477 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 36.3 p90 -146.71 138.1 24.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -142.24 149.72 39.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.009 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -76.45 118.96 19.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.67 -41.06 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -161.52 98.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 t30 67.65 -76.2 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.879 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.575 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 22.2 t-20 -116.67 -23.46 8.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 111.38 -172.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.667 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 23.0 mp0 -75.69 121.48 22.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.3 pt -112.29 128.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.894 175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.621 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.7 p-10 -101.46 135.95 42.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.912 0.387 . . . . 0.0 110.504 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 38' ' ' ILE . 2.5 mp -83.36 109.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.84 ' HB3' ' HG1' ' A' ' 27' ' ' THR . 13.5 t70 -68.53 -57.81 5.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.249 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -151.48 151.16 31.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.421 . . . . 0.0 111.01 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -116.1 110.74 19.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.919 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.96 81.31 0.3 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.341 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -93.24 125.54 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 0.0 111.084 -177.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.078 0.466 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.66 87.83 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 87.5 tttt -67.78 -36.58 80.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.304 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -74.0 -30.08 62.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.73 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.55 HD23 HG13 ' A' ' 15' ' ' ILE . 59.6 mt -64.68 -50.85 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.156 0.503 . . . . 0.0 109.787 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.485 HD22 ' HE3' ' A' ' 81' ' ' MET . 38.5 tp -64.34 -31.89 73.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.342 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -54.74 -48.56 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.28 98.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.83 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.34 -47.56 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.575 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.425 HG13 HG21 ' A' ' 91' ' ' VAL . 64.5 t -62.48 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.459 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.02 -42.95 89.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -72.89 -24.85 60.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.096 0.474 . . . . 0.0 110.462 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.23 53.26 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 175.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.71 -42.43 93.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -50.08 -47.91 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.632 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -107.23 7.25 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.907 -174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.55 61.7 2.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.329 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -107.2 158.05 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.667 ' HB2' ' HA ' ' A' ' 35' ' ' GLU . 30.2 mmtp -92.4 116.59 29.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.929 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 91' ' ' VAL . 20.8 mt -92.19 112.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.298 178.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 5.3 pt -125.97 119.18 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.085 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.31 122.97 35.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.086 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.2 m -74.78 -37.46 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.511 . . . . 0.0 109.665 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.9 p -79.22 131.69 36.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.585 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 p -67.58 -29.62 69.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.028 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.44 -48.58 80.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.998 0.428 . . . . 0.0 110.627 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.44 85.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 36.0 ttmt -64.38 -38.88 92.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.63 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.482 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.485 ' HE3' HD22 ' A' ' 57' ' ' LEU . 35.0 ttp -73.69 -31.29 63.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.577 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.76 -36.83 83.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.753 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.3 mt-10 -82.12 -16.28 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.635 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -39.64 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.898 -173.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.77 169.61 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.981 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.19 -24.4 27.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.249 -169.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 t -66.41 -4.36 8.01 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.142 -175.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.541 ' OH ' ' HG3' ' A' ' 54' ' ' LYS . 35.3 m-85 -96.78 -7.39 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.278 -0.264 . . . . 0.0 111.599 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.2 tt0 -69.48 -15.32 63.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.75 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -35.41 72.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 177.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.446 HG21 HD12 ' A' ' 71' ' ' ILE . 18.9 m -118.91 4.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.234 0.54 . . . . 0.0 111.153 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.47 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 52.0 t80 -104.57 139.49 39.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.496 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 -177.288 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.17 0.51 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -92.16 108.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -91.87 146.11 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.888 0.375 . . . . 0.0 110.158 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.73 128.88 47.85 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.385 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.02 -164.77 12.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 173.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.78 99.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.261 0.531 . . . . 0.0 110.776 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m120 60.36 16.8 6.56 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.374 0.421 . . . . 0.0 111.847 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.494 ' HB3' HG21 ' A' ' 27' ' ' THR . 7.5 ptpp? -129.19 139.37 51.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.959 0.409 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.27 114.86 27.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -121.32 127.79 51.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.667 0.746 . . . . 0.0 111.309 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 56' ' ' LEU . 49.9 mt -93.11 128.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.689 175.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.17 -146.08 13.07 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.16 -35.8 0.93 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.193 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.4 t70 -122.77 168.58 12.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.78 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.036 0.446 . . . . 0.0 109.838 176.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.24 -33.2 24.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.436 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 93.6 m-20 -88.52 37.04 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.534 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.32 109.48 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.618 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.06 -21.39 29.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.247 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.691 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.2 106.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.46 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.26 0.552 . . . . 0.0 110.346 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 17.3 tt -122.27 124.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.788 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.663 ' HG1' ' HB2' ' A' ' 39' ' ' ASP . 40.5 p -108.32 139.87 42.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 34.9 p90 -129.35 127.31 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 7.2 tpt180 -114.55 168.12 10.14 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' H ' ' HG3' ' A' ' 29' ' ' ARG . 94.4 m-85 -100.23 111.06 23.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.662 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -87.25 -23.01 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.77 0.795 . . . . 0.0 108.883 171.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.691 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.4 t70 -140.36 164.7 29.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.094 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.96 -24.85 67.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.682 0.277 . . . . 0.0 110.947 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 14.6 m120 -127.31 17.79 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.542 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.886 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.5 mt-10 -135.38 122.18 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.07 150.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.571 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.8 p-10 -121.75 139.27 53.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.994 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -87.07 105.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.663 ' HB2' ' HG1' ' A' ' 27' ' ' THR . 26.9 m-20 -70.03 -65.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.657 -176.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.586 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 65.9 t60 -127.67 130.85 49.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.354 -173.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 m -121.7 97.69 5.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.465 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.691 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -106.95 98.88 1.36 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.221 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 24' ' ' ALA . 28.2 t -116.64 124.58 72.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 175.705 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.447 HG11 HD12 ' A' ' 15' ' ' ILE . 53.6 t . . . . . 0 C--O 1.235 0.301 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.41 91.03 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.801 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -76.4 -25.57 54.68 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.656 -0.32 . . . . 0.0 111.037 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.55 -46.19 87.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 15' ' ' ILE . 97.5 mt -60.98 -49.25 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.838 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.1 -44.1 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.623 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -57.37 -42.87 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.435 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.71 88.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.83 -48.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' HD11 ' A' ' 71' ' ' ILE . 98.3 t -62.54 -38.93 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.35 -48.36 80.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.199 0.523 . . . . 0.0 109.979 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -69.02 -26.61 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -54.26 19.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -62.41 -35.19 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 109.829 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -53.35 -47.69 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.957 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -106.2 9.13 32.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.417 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 59.36 69.9 0.68 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 110.158 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 64.3 mt -121.35 139.5 53.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.533 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.886 ' HD3' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -85.87 145.53 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 174.537 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 61' ' ' VAL . 68.3 mt -113.78 120.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.321 0.582 . . . . 0.0 112.373 -174.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -127.23 149.66 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.063 168.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.81 135.28 50.81 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.124 -0.36 . . . . 0.0 111.221 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -85.08 -42.83 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.412 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 87.0 m -63.59 125.17 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -59.17 -38.13 79.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.371 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.61 -40.43 94.79 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.033 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.26 -41.95 16.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -58.79 -49.93 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.542 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -16.3 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.12 -40.03 71.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -77.38 -23.85 50.67 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.83 0.347 . . . . 0.0 110.597 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -63.17 -39.74 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.518 . . . . 0.0 109.803 173.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -79.26 -48.9 13.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.59 97.37 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.61 -19.26 65.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.456 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.6 m -66.08 -23.47 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.8 8.5 41.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.546 HE21 ' HA ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -65.92 -25.09 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 110.572 -178.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -48.32 73.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.472 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 m -85.14 -21.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.59 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -78.59 141.99 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.182 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.231 178.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.19 109.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -79.44 115.8 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.842 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -90.86 122.82 33.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.73 -165.6 11.8 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.059 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.2 mp0 -60.22 95.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.704 0.402 . . . . 0.0 110.762 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 57.12 23.08 8.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.845 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' HG22 ' A' ' 27' ' ' THR . 25.2 pttm -142.64 144.4 32.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.295 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -113.74 128.36 56.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -142.12 156.13 45.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.704 -175.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 HD22 ' A' ' 56' ' ' LEU . 57.6 mt -129.8 128.16 64.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.621 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.93 -170.31 42.07 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.683 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.92 -30.01 21.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.142 0.496 . . . . 0.0 110.279 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -160.97 161.05 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -15.36 63.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.421 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -73.44 -15.7 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 110.536 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -161.88 78.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.549 . . . . 0.0 110.015 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.53 149.99 28.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.106 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.88 -24.47 38.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB3' HG23 ' A' ' 43' ' ' VAL . . . -163.07 126.81 2.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.225 177.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -128.59 127.34 42.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.289 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.92 125.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.908 ' HG1' ' HB3' ' A' ' 39' ' ' ASP . 59.0 p -109.29 137.46 47.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.707 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.15 147.21 45.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG3' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -154.05 150.29 28.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -82.67 121.02 26.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.502 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 m -85.79 -41.93 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.636 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -144.73 -83.4 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.564 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' HD21 ' A' ' 33' ' ' ASN . 0.2 OUTLIER -105.39 -80.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.529 -171.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.85 4.6 14.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.434 0.635 . . . . 0.0 109.467 -177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.82 117.53 28.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.415 -173.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.35 124.71 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.738 174.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' OD1' ' HG3' ' A' ' 29' ' ' ARG . 2.3 p-10 -102.37 135.14 44.51 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.335 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.22 96.56 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.908 ' HB3' ' HG1' ' A' ' 27' ' ' THR . 23.2 t70 -53.78 -57.9 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.308 -174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.533 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 37.8 p-80 -150.45 146.26 26.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.855 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.485 HG23 HG22 ' A' ' 43' ' ' VAL . 3.1 m -112.98 85.61 2.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -76.97 82.8 1.08 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.023 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG22 HG23 ' A' ' 41' ' ' THR . 61.0 t -109.25 132.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.185 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.484 HG11 HD11 ' A' ' 15' ' ' ILE . 48.5 t . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.37 43.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.561 -176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.81 -23.09 61.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.313 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -65.4 -51.85 57.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.094 0.474 . . . . 0.0 110.265 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.515 HD22 HG13 ' A' ' 15' ' ' ILE . 97.3 mt -66.6 -38.63 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.202 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' HG21 ' A' ' 61' ' ' VAL . 56.9 tp -63.07 -42.32 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.559 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -57.36 -47.14 82.41 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.861 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.01 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.57 -44.32 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.395 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.0 t -62.95 -40.6 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.74 -45.05 95.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.652 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -65.67 -37.18 85.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.312 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.95 77.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' HA ' HG12 ' A' ' 91' ' ' VAL . 45.7 ttp85 -60.93 -44.7 96.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 0.0 110.416 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.35 -46.41 86.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.697 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.14 3.24 55.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.512 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 58.73 70.37 0.66 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.841 0.829 . . . . 0.0 110.339 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -121.56 174.64 6.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.91 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HD3' HD22 ' A' ' 93' ' ' LEU . 55.9 mttp -124.05 130.05 51.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 61' ' ' VAL . 59.0 mt -95.55 127.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.954 -176.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 37' ' ' ASN . 11.9 pt -120.39 132.51 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.722 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.08 115.61 27.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.388 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 m -88.67 -25.48 22.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 47.5 t -91.67 139.23 30.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.554 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 m -68.01 -31.03 70.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.311 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -64.67 -51.01 64.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.915 0.388 . . . . 0.0 110.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HE1' ' A' ' 81' ' ' MET . . . -64.13 -36.71 84.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.68 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -56.51 -51.43 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.689 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -69.02 -16.05 63.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.428 ' HE1' ' HA ' ' A' ' 78' ' ' ALA . 74.4 mtm -84.91 -49.49 8.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.062 0.458 . . . . 0.0 110.252 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 57' ' ' LEU . 90.3 mt -73.53 -39.24 64.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.722 -175.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -67.38 -29.65 69.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.927 0.394 . . . . 0.0 111.627 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -97.94 -32.98 11.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.46 124.62 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.997 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.19 -16.11 61.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.607 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -63.51 -29.61 70.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.41 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -106.12 -8.39 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.684 0.278 . . . . 0.0 111.431 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.496 ' HG2' ' HD2' ' A' ' 92' ' ' TYR . 36.3 mt-30 -82.48 74.97 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.535 0.683 . . . . 0.0 112.235 -174.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -141.9 -45.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.173 170.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 65' ' ' ARG . 29.6 m -97.02 4.9 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.161 174.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.496 ' HD2' ' HG2' ' A' ' 89' ' ' GLN . 59.9 t80 -102.03 138.5 38.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.913 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.777 HD22 ' HD3' ' A' ' 70' ' ' LYS . 86.8 mt . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.215 0.531 . . . . 0.0 110.942 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 121.133 0.492 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.509 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 66.3 mt -70.62 115.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.177 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -93.2 125.02 37.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.56 176.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -81.66 145.53 30.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.385 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.4 -166.78 13.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.512 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -64.94 99.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.76 0.28 . . . . 0.0 111.223 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.56 21.88 12.45 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.293 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HB3' HG21 ' A' ' 27' ' ' THR . 20.4 ptmt -145.87 150.93 37.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.173 0.511 . . . . 0.0 111.393 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 51.6 m-85 -122.59 119.09 29.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 171.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -128.76 131.78 47.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.681 0.753 . . . . 0.0 111.843 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 HD23 ' A' ' 56' ' ' LEU . 71.8 mt -99.73 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.547 171.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.57 135.47 7.87 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 119.988 -1.101 . . . . 0.0 112.849 -176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.49 -32.13 70.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.993 0.901 . . . . 0.0 108.583 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.2 t70 -138.88 157.6 45.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.385 -1.279 . . . . 0.0 107.568 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.63 -20.38 58.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.232 0.469 . . . . 0.0 111.557 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -87.59 -21.35 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.307 0.575 . . . . 0.0 109.701 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 9.2 m120 -115.05 46.25 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.169 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.52 100.47 0.67 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.528 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.15 -55.86 28.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -127.04 112.2 14.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -125.92 134.9 51.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.497 HD13 HG21 ' A' ' 60' ' ' VAL . 17.0 tt -121.88 132.72 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.215 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.423 HG21 ' HB3' ' A' ' 12' ' ' LYS . 68.7 p -118.38 141.12 48.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.613 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -143.93 149.38 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -126.59 153.99 44.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -89.0 102.81 15.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.737 174.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -75.08 -31.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.1 168.25 20.17 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -80.84 57.11 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.754 0.311 . . . . 0.0 110.223 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.85 -24.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.595 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 57.8 mt-10 -112.55 132.66 55.0 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.959 0.409 . . . . 0.0 110.608 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.5 142.13 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.303 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 21.7 p-10 -114.43 138.26 50.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 0.0 110.445 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 107.65 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.34 -44.0 59.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.614 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.65 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 72.1 t60 -159.34 146.34 16.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.157 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 m -139.32 100.64 4.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.035 0.445 . . . . 0.0 110.02 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.34 95.97 1.15 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.495 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.81 98.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.943 0.402 . . . . 0.0 110.725 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.334 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.363 0.601 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.23 -26.25 71.51 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.969 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.54 -37.22 82.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.543 0.211 . . . . 0.0 110.508 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 6' ' ' ILE . 7.5 mtpm? -60.22 -47.05 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD23 HG13 ' A' ' 15' ' ' ILE . 84.4 mt -57.15 -60.83 3.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.655 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.04 -33.03 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.573 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 26.1 ttpp -56.94 -57.15 13.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.496 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.05 82.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG21 HD13 ' A' ' 26' ' ' ILE . 93.7 t -63.01 -46.4 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.255 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 88' ' ' TYR . 81.9 t -67.51 -39.06 81.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.725 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 47.2 mt-10 -59.03 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.59 -32.22 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.87 82.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.16 -33.29 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.67 -51.77 52.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.268 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.567 ' HB3' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -93.99 4.78 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.78 -172.021 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 59.97 40.63 18.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.75 0.786 . . . . 0.0 110.135 -178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 67' ' ' ASN . 79.8 mt -84.45 136.29 33.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.552 -178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.763 ' HD2' HD12 ' A' ' 93' ' ' LEU . 48.5 mtmt -90.85 121.99 33.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.57 175.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.3 mt -91.83 114.75 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.877 -173.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 32.8 pt -115.03 160.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.78 137.29 51.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.265 -0.574 . . . . 0.0 112.052 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -91.8 -51.87 5.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 51.4 m -69.05 121.89 17.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 t -62.09 -28.74 69.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.126 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -58.32 -56.17 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.456 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.41 74.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.974 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.15 -35.45 80.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.065 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -68.99 -35.2 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.72 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.5 mtp -67.78 -45.92 73.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.57 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.62 -31.11 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.885 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.89 -49.43 70.52 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.991 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -107.41 153.31 22.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.143 0.497 . . . . 0.0 110.956 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.03 -7.74 59.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.893 -170.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 p -66.96 -51.88 49.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.444 -174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CD1' HG21 ' A' ' 61' ' ' VAL . 14.6 m-85 -92.24 -7.81 47.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -174.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 tt0 -70.5 -15.95 62.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.509 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.42 -55.11 37.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.888 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.7 m -102.51 13.73 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.482 . . . . 0.0 111.172 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 21.7 t80 -84.39 127.23 33.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' A' ' 70' ' ' LYS . 74.8 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.527 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.593 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 37.1 mp0 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.157 0.503 . . . . 0.0 111.885 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' HG2' ' A' ' 55' ' ' LYS . 63.4 mt -75.39 108.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.118 173.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HE3' ' HB2' ' A' ' 5' ' ' GLU . 32.3 mmtp -86.48 132.66 33.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.401 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.72 139.82 56.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.61 29.9 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.67 94.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.237 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.42 HD21 ' NH2' ' A' ' 29' ' ' ARG . 74.4 m-20 60.89 22.87 12.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.344 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.75 127.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.477 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -98.96 137.64 37.22 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -139.78 130.55 25.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.366 0.603 . . . . 0.0 111.704 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.684 HG13 HD21 ' A' ' 56' ' ' LEU . 63.4 mt -92.33 112.56 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.487 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.65 162.87 26.27 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -82.15 -16.14 50.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.15 0.5 . . . . 0.0 110.398 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -158.47 163.11 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.21 -26.39 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 118.087 0.403 . . . . 0.0 110.61 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -78.49 -7.6 57.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.541 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -127.12 25.23 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.277 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.41 99.64 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.887 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.53 -15.05 56.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.556 -176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.616 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -153.7 104.55 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -117.03 139.39 50.75 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.595 176.028 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -129.95 131.09 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.38 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 25.4 p -100.63 139.72 35.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -132.53 55.5 1.88 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.854 0.835 . . . . 0.0 108.804 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' NH2' HD21 ' A' ' 11' ' ' ASN . 3.7 mtp85 -77.11 154.93 32.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.203 -169.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 68.6 m-85 -83.43 112.05 19.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.922 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -83.68 -17.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.48 0.657 . . . . 0.0 109.233 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.6 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 6.6 t70 -150.46 -160.48 1.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.211 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -75.61 -41.64 53.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.933 0.333 . . . . 0.0 111.785 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -110.17 -25.95 9.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.738 0.78 . . . . 0.0 110.049 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 38.7 mp0 -84.42 102.69 12.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.242 -172.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.6 pt -97.42 143.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.435 173.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -128.21 139.36 52.5 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.518 -177.669 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.661 ' HA ' ' O ' ' A' ' 27' ' ' THR . 4.1 mp -87.6 91.02 3.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.647 171.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.959 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 11.1 p-10 -89.61 -10.22 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.13 -174.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 66.1 t60 -147.22 135.56 21.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.42 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 m -136.27 92.92 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.616 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -102.93 62.8 0.45 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.618 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 24' ' ' ALA . 98.7 t -102.8 118.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.669 0.271 . . . . 0.0 111.159 -175.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 m . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.815 173.221 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.95 -32.31 73.31 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.891 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HZ2' ' CD ' ' A' ' 85' ' ' GLU . 51.6 tttp -67.28 -36.15 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.659 ' HG2' HD13 ' A' ' 6' ' ' ILE . 4.7 ttmp? -60.84 -48.3 82.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.344 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.684 HD21 HG13 ' A' ' 15' ' ' ILE . 78.5 mt -66.49 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.257 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.32 -36.74 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.53 -45.61 91.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.86 94.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.42 -51.9 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.445 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 89.0 t -61.39 -42.06 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 20.1 tt0 -64.25 -45.38 88.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.84 -176.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -72.84 -36.75 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.69 78.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.491 . . . . 0.0 110.213 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -62.68 -35.48 79.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.076 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.6 mt-10 -65.85 -53.01 45.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.746 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.528 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 10.3 m120 -85.25 2.69 42.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.082 -170.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.8 OUTLIER 65.45 37.31 6.22 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.228 0.537 . . . . 0.0 110.374 178.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -88.36 169.96 11.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HD2' ' HG3' ' A' ' 35' ' ' GLU . 86.7 mttt -113.18 130.75 56.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 61' ' ' VAL . 50.4 mt -106.69 120.68 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.345 0.593 . . . . 0.0 111.93 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.565 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.9 pt -123.07 161.2 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.942 170.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.8 129.62 40.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.081 0.467 . . . . 0.0 111.675 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.959 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 34.2 t -85.62 -44.81 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.088 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 65.8 m -66.47 122.11 16.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.259 175.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 t -61.73 -30.18 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.459 ' O ' ' HG3' ' A' ' 81' ' ' MET . 64.6 t80 -59.33 -58.17 9.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.96 85.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 79' ' ' LYS . 5.2 tmmm? -61.11 -40.74 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.875 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -75.42 -21.76 57.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.782 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 89.0 mtp -69.45 -34.69 74.78 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.33 -30.81 65.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.402 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.84 -37.68 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -57.28 -52.28 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.808 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 11.6 tt0 -114.75 117.19 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -168.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -74.26 0.62 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.048 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 t -82.75 -4.5 58.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.425 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 78.5 m-85 -102.59 9.07 39.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.438 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.505 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -77.52 2.0 17.68 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -67.18 -58.26 5.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.12 -3.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.315 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.505 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 64.3 t80 -83.66 114.13 21.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -176.595 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p 49.79 64.64 1.69 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.451 0.7 . . . . 0.0 111.288 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -130.46 72.26 1.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.152 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 tp -135.89 13.35 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.293 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.16 161.74 29.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.639 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.15 120.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.89 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.42 124.39 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.724 0.297 . . . . 0.0 110.498 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -87.88 116.17 25.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.8 -168.33 13.56 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.26 94.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.447 0.299 . . . . 0.0 111.109 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 55.65 26.71 9.59 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.224 0.535 . . . . 0.0 111.144 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HZ1' HG21 ' A' ' 27' ' ' THR . 0.5 OUTLIER -143.01 141.15 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.355 -177.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -120.05 124.77 46.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . 48.2 p90 -133.02 142.36 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.336 0.589 . . . . 0.0 111.932 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.31 119.18 59.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.523 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.94 -173.08 42.84 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -74.48 -49.52 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.74 -164.39 2.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.17 -35.49 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -80.67 -39.13 27.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -88.1 31.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.253 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 92.66 4.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.54 -31.85 62.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.985 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -145.72 114.36 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 14' ' ' TYR . 1.1 pp20? -137.28 155.11 49.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.934 0.397 . . . . 0.0 111.116 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 60' ' ' VAL . 15.9 tt -139.72 141.95 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.657 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.459 HG21 ' HZ1' ' A' ' 12' ' ' LYS . 81.0 p -123.56 146.89 47.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.662 0.268 . . . . 0.0 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 31.9 p90 -144.74 138.1 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' ' OD1' ' A' ' 37' ' ' ASN . 9.1 ptp180 -128.98 154.99 46.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -83.39 100.45 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.64 -38.86 46.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.772 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -125.45 -79.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.262 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.6 -86.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.495 0.188 . . . . 0.0 110.841 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -88.43 -1.18 57.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.246 0.546 . . . . 0.0 110.14 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -88.36 119.97 29.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 pt -117.68 146.56 21.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.822 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 26.5 p-10 -118.15 142.06 47.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.277 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.1 mt -75.49 98.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 12.1 t70 -66.16 -54.92 19.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.087 -172.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -144.03 143.5 31.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -129.07 90.16 2.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.921 0.391 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.78 71.88 2.7 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.664 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.4 t -112.49 119.2 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -74.62 127.14 32.37 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.35 109.32 16.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.414 0.626 . . . . 0.0 110.244 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.66 -60.42 2.26 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.467 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.94 19.17 2.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.42 4.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.138 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.15 -26.16 72.4 Favored Glycine 0 C--N 1.331 0.262 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -99.85 21.39 12.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.333 0.587 . . . . 0.0 109.93 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.32 102.12 1.93 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.841 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -62.77 -17.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.422 . . . . 0.0 111.103 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.32 58.48 Favored Glycine 0 C--O 1.225 -0.427 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.132 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -63.36 -37.8 88.68 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 117.071 0.436 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.9 -39.68 87.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.964 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.08 -46.31 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.661 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -57.23 -45.65 83.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.229 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -55.91 -48.77 75.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.894 0.378 . . . . 0.0 110.198 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.76 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.467 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG21 HD12 ' A' ' 26' ' ' ILE . 99.3 t -64.38 -50.07 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.386 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 88' ' ' TYR . 96.5 t -63.54 -41.93 94.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 110.853 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.66 -48.24 82.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.128 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -64.23 -42.7 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.158 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.41 90.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.063 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -58.32 -47.14 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.498 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.12 -18.8 62.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 1.83 39.24 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.242 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -86.54 144.56 27.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -100.89 128.66 46.83 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 91' ' ' VAL . 52.9 mt -104.01 118.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.473 0.654 . . . . 0.0 112.136 -174.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -116.66 175.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.92 131.83 26.01 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.173 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 m -89.89 -18.97 25.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.04 128.81 42.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.389 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 p -61.83 -33.55 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.513 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -55.18 -54.21 46.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.69 75.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.03 -43.94 91.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.459 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -78.03 -28.28 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.457 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 66.8 mtm -68.76 -45.99 69.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.732 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.39 -21.56 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.565 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.0 -43.06 88.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.043 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -18.76 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.506 -177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.28 92.74 6.9 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 -174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.05 -6.09 39.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 m -70.0 -20.59 63.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.462 ' CD1' HG13 ' A' ' 61' ' ' VAL . 29.3 m-85 -109.91 25.37 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.74 -8.38 42.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.875 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.71 -53.0 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.19 0.519 . . . . 0.0 110.909 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 HD13 ' A' ' 71' ' ' ILE . 27.8 m -102.42 -12.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.882 -172.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -87.24 125.8 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.34 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.05 -153.9 38.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.385 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -155.89 138.95 15.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.78 0.324 . . . . 0.0 110.156 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' OE1' ' HB2' ' A' ' 100' ' ' HIS . 1.4 tm-20 -150.97 147.38 27.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -97.66 24.75 6.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.378 0.609 . . . . 0.0 110.604 -173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 69.33 16.05 8.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.527 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -96.01 60.43 2.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.417 ' HB2' ' OE1' ' A' ' 96' ' ' GLU . 59.0 t60 -123.96 65.49 1.05 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.555 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -75.66 -34.92 60.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 C--O 1.24 0.575 0 CA-C-N 113.782 -1.553 . . . . 0.0 108.264 164.027 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.019 0.437 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -166.94 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.262 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 61.96 17.6 9.13 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.963 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 HD22 HG23 ' A' ' 52' ' ' VAL . 71.3 mt -85.35 39.25 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 0.0 109.549 177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.555 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 13.6 tt0 -85.24 125.27 32.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.851 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.594 HD11 ' HG2' ' A' ' 55' ' ' LYS . 58.3 mt -82.82 125.7 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.109 0.481 . . . . 0.0 111.412 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HE3' ' OE2' ' A' ' 5' ' ' GLU . 22.0 mmtp -99.44 139.49 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 171.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -107.79 144.83 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.466 0.651 . . . . 0.0 112.004 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.84 -176.98 15.71 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.15 112.98 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.505 0.652 . . . . 0.0 110.415 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.7 m120 67.31 15.21 9.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.067 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' HB3' HG21 ' A' ' 27' ' ' THR . 18.5 ptpt -147.08 144.99 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.197 0.523 . . . . 0.0 111.995 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -125.16 128.0 47.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 28.6 p90 -133.55 129.23 36.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.406 0.622 . . . . 0.0 111.408 -175.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG13 HD21 ' A' ' 56' ' ' LEU . 68.1 mt -89.64 116.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.36 174.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.66 173.46 35.78 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.65 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -76.97 -49.61 15.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.43 168.12 13.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.855 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.25 -30.6 69.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -87.35 10.91 15.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.664 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.86 68.64 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.406 0.622 . . . . 0.0 109.823 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.0 124.36 49.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.116 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.49 -23.22 21.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.344 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -145.98 102.49 3.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.604 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.7 120.66 38.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.91 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.9 135.34 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.5 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 62.0 p -117.44 157.06 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.87 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 40.9 p90 -152.69 141.98 21.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 110.327 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 51.6 ttp85 -128.32 150.83 49.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.95 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.58 98.77 10.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 72' ' ' ILE . 8.2 m -76.37 -38.94 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -151.82 78.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.17 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.453 1.096 . . . . 0.0 112.785 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 6.29 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.963 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -124.57 122.03 36.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.115 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 pt -118.17 133.29 65.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.146 0.498 . . . . 0.0 111.129 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 29' ' ' ARG . 1.6 p-10 -100.38 143.94 29.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.5 HG23 ' SG ' ' A' ' 75' ' ' CYS . 3.4 mp -112.6 106.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -96.06 -52.35 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.761 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 58.4 t60 -103.89 125.94 50.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.429 0.633 . . . . 0.0 111.176 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -144.5 101.51 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.132 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.69 99.97 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.664 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 59.4 t -119.49 127.52 75.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 m -71.43 130.47 41.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.89 6.62 16.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -26.32 67.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.294 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.75 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.698 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.52 -17.64 28.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.45 -155.58 6.49 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 69.84 140.69 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.497 0.665 . . . . 0.0 111.489 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.18 47.52 3.4 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.198 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG23 HD22 ' A' ' 4' ' ' LEU . 21.2 t -64.85 -55.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.603 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.7 -47.28 88.06 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.703 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.594 ' HG2' HD11 ' A' ' 6' ' ' ILE . 40.8 ttmt -68.23 -45.83 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.937 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 15' ' ' ILE . 85.6 mt -66.24 -45.84 79.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.471 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 61' ' ' VAL . 7.1 mp -58.73 -49.2 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -59.53 -37.86 79.48 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.76 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.7 93.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 92.3 t -72.01 -39.92 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 57' ' ' LEU . 89.2 t -69.52 -35.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.58 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 44.6 tt0 -60.57 -49.69 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 15.1 t-80 -50.92 -45.3 60.37 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.583 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 -39.41 79.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -41.32 82.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -56.23 -53.36 58.07 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.096 0.474 . . . . 0.0 111.155 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 80.5 m-20 -101.08 10.25 41.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.398 -172.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.61 49.05 21.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.34 0.59 . . . . 0.0 111.227 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 76.3 mt -89.12 137.95 31.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.26 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.589 ' HD3' HD11 ' A' ' 93' ' ' LEU . 63.2 mttp -81.5 140.52 34.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.996 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 38' ' ' ILE . 70.2 mt -111.93 126.35 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.262 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.528 HD13 HG21 ' A' ' 31' ' ' VAL . 20.3 pt -123.41 129.58 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.784 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.32 134.61 50.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.935 0.397 . . . . 0.0 111.479 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 31.8 t -111.68 -5.49 14.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.598 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 4.6 p -97.23 117.11 30.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.43 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.0 t -57.84 -33.99 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.569 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.79 -51.69 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.519 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -75.53 -38.71 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.8 -42.98 72.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.546 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 25.5 m80 -65.55 -27.53 68.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.69 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.6 mtm -84.96 -28.81 25.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 93.2 mt -71.32 -41.59 69.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.78 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.96 -18.39 56.06 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 110.767 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 64.0 tttm -69.91 -46.27 65.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.594 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 30.3 tt0 -111.45 150.68 29.51 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.114 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -81.55 -10.75 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.869 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -74.46 -7.52 53.26 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 21.6 m-85 -115.03 -13.85 11.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.626 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.98 -8.34 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -166.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.97 -44.38 63.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.79 -24.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.895 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -76.85 123.89 26.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.589 HD11 ' HD3' ' A' ' 70' ' ' LYS . 83.1 mt -94.61 -138.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 174.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 55.57 46.07 82.59 Favored Glycine 0 C--O 1.236 0.24 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.028 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.75 -49.16 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.828 0.347 . . . . 0.0 110.649 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.501 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -82.11 76.35 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -85.95 62.96 7.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.437 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -177.7 170.71 1.95 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.828 0.851 . . . . 0.0 108.864 174.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -89.88 3.92 51.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.703 0.287 . . . . 0.0 110.717 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -157.36 -54.63 0.08 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.911 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.4 t60 . . . . . 0 C--O 1.242 0.663 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -54.39 114.63 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.516 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -160.16 151.2 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.97 65.76 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.376 0.607 . . . . 0.0 111.042 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -91.15 153.55 19.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.283 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.99 96.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.52 128.75 33.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.108 0.48 . . . . 0.0 109.925 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -96.88 121.99 39.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.693 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.32 -179.13 17.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.78 115.57 13.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 117.343 0.571 . . . . 0.0 110.485 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 65.38 19.16 11.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.682 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 27' ' ' THR . 57.3 pttt -153.49 143.66 22.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.344 0.592 . . . . 0.0 112.216 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.7 127.83 53.94 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -134.09 140.17 46.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.203 0.525 . . . . 0.0 111.237 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.663 HG13 HD22 ' A' ' 56' ' ' LEU . 69.5 mt -114.57 117.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.065 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.78 163.7 30.89 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -71.85 -40.59 68.91 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.897 0.379 . . . . 0.0 110.125 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -122.11 161.8 22.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.81 -27.54 62.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 110.604 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -77.52 -35.01 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.291 0.567 . . . . 0.0 109.95 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -105.75 49.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.956 0.884 . . . . 0.0 109.615 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.2 117.16 14.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.693 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.53 -33.85 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.15 131.1 10.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.73 142.19 50.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.041 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 38' ' ' ILE . 14.8 tt -124.6 128.37 73.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.5 p -109.25 138.82 45.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 12.1 p90 -145.3 141.84 28.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.415 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 29' ' ' ARG . 10.0 ptm85 -136.04 137.7 41.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -176.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.08 96.87 2.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.921 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 72' ' ' ILE . 30.2 m -81.86 -26.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -141.7 -159.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.841 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.83 -57.42 12.12 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.266 0.354 . . . . 0.0 111.951 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -127.99 5.66 5.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.39 120.19 30.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.367 . . . . 0.0 110.736 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 pt -108.81 135.25 48.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.099 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 23.2 t-20 -109.17 126.34 53.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.054 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 26' ' ' ILE . 70.8 mt -96.39 102.37 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 3.9 p-10 -78.29 -34.91 48.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.813 -174.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 28.4 p-80 -155.14 153.3 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.36 0.6 . . . . 0.0 111.228 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 43' ' ' VAL . 7.7 m -128.74 96.41 4.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.003 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -79.08 81.41 1.42 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.05 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 41' ' ' THR . 48.2 t -100.2 112.92 34.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.702 0.287 . . . . 0.0 110.452 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -77.48 129.61 35.93 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.04 25.29 0.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.901 0.382 . . . . 0.0 111.564 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.67 -30.02 70.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.156 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.876 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.0 mm? -82.59 -4.87 58.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.191 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.59 -104.38 1.06 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.754 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.36 -8.01 63.09 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.875 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.876 ' HB2' ' HB3' ' A' ' 47' ' ' LEU . 48.8 mt-30 -73.38 110.35 7.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.362 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.92 68.57 3.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.142 -175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.17 -39.33 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.197 0.522 . . . . 0.0 110.041 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.11 -24.38 75.91 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.036 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -69.83 -37.93 76.38 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -64.23 -37.75 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.195 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD22 HG13 ' A' ' 15' ' ' ILE . 81.6 mt -65.23 -48.38 73.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.68 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD22 ' HE3' ' A' ' 81' ' ' MET . 61.3 tp -58.1 -44.22 87.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.835 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -56.78 -45.06 82.37 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.75 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.08 99.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.21 -48.82 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.578 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 88' ' ' TYR . 99.5 t -63.34 -41.96 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.057 0.455 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.8 tt0 -62.05 -45.18 94.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 19.9 t60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.48 -43.36 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.297 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -62.81 -35.94 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.775 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.1 mt-10 -60.07 -44.52 94.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.13 0.49 . . . . 0.0 110.468 176.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -102.32 14.5 31.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.365 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.0 m120 62.22 29.18 17.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.021 0.439 . . . . 0.0 111.407 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 64' ' ' ALA . 83.2 mt -78.47 156.23 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 3.6 mptp? -107.94 137.61 45.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.343 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.19 123.62 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 111.626 -172.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.5 pt -125.5 136.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.014 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.81 123.83 24.16 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.235 -174.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 3.2 p -87.6 -22.57 24.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.228 0.537 . . . . 0.0 110.268 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.1 t -67.81 108.97 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.785 175.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 m -58.23 -35.81 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.668 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.1 -57.19 13.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.951 0.405 . . . . 0.0 110.861 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.4 84.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.572 ' HG2' ' HH ' ' A' ' 92' ' ' TYR . 5.7 tmmm? -58.0 -45.55 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.045 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -73.07 -17.54 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.135 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.465 ' HE3' HD22 ' A' ' 57' ' ' LEU . 73.6 mtm -81.6 -35.08 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.32 -34.58 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 109.573 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -70.58 -16.67 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -72.92 -59.63 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.07 145.42 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 111.833 -170.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.627 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 2.9 m-20 -75.3 -4.34 38.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.758 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.5 t -63.1 -23.38 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 0.0 110.036 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.491 ' CD2' HG13 ' A' ' 61' ' ' VAL . 2.2 m-85 -112.1 9.08 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.366 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.627 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 6.3 tp60 -79.58 -19.14 50.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.218 -170.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.61 -17.61 25.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.814 -0.553 . . . . 0.0 111.313 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.461 HG23 HG11 ' A' ' 61' ' ' VAL . 15.6 m -101.61 -38.15 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' HH ' ' HG2' ' A' ' 79' ' ' LYS . 44.0 t80 -89.07 142.51 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 93' ' ' LEU . 7.5 mp -79.68 81.4 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.074 0.464 . . . . 0.0 109.775 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.9 70.57 0.3 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.217 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.1 tp -126.46 101.44 6.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.56 133.57 51.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.214 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -72.77 93.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.828 0.823 . . . . 0.0 109.544 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -109.89 5.02 22.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.342 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -81.05 85.84 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.635 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -150.94 146.37 26.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -123.43 118.72 28.09 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.027 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.236 172.282 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m 62.95 43.0 7.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.742 0.782 . . . . 0.0 109.236 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -81.12 128.89 34.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.76 30.07 1.64 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.542 0.686 . . . . 0.0 109.39 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.43 140.66 46.68 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.283 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.48 HD11 ' HG3' ' A' ' 55' ' ' LYS . 61.7 mt -83.56 106.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.244 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.08 117.0 18.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -96.09 141.9 28.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.258 0.551 . . . . 0.0 111.049 -175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.29 -171.28 14.17 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.923 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.39 109.47 6.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.049 0.425 . . . . 0.0 110.662 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m120 71.73 4.77 5.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.629 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -134.53 137.75 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.396 0.617 . . . . 0.0 112.151 -175.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -122.05 111.41 16.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.543 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 28.3 p90 -126.35 127.35 45.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.535 0.683 . . . . 0.0 111.935 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.87 118.61 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.361 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 177.58 175.67 44.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.75 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.33 -10.81 29.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.309 0.576 . . . . 0.0 110.108 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -156.48 167.54 30.13 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.48 -31.93 72.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.549 . . . . 0.0 110.057 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.29 -24.18 27.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.056 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -108.2 49.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.92 0.866 . . . . 0.0 109.156 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -95.61 112.16 23.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.431 175.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.7 -8.19 54.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -154.95 89.37 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 178.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 14' ' ' TYR . 49.0 tt0 -114.14 118.11 33.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 56' ' ' LEU . 20.2 tt -115.78 131.14 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.093 0.473 . . . . 0.0 110.17 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.614 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 82.6 p -125.72 140.63 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -122.46 132.88 54.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.934 0.397 . . . . 0.0 110.142 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 14.2 ptm180 -122.32 144.17 49.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.275 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.88 136.77 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.238 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 72' ' ' ILE . 10.6 m -110.98 -48.66 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.214 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.62 -91.21 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -128.22 -77.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -95.94 8.45 43.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -108.6 123.68 49.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -111.98 129.34 67.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.364 0.602 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.0 t-20 -96.71 128.93 44.13 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.134 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.432 HD13 HD11 ' A' ' 26' ' ' ILE . 54.4 mt -103.14 98.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -97.06 -22.03 17.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.614 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 25.7 t60 -124.58 113.95 18.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.596 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.58 HG23 ' HB1' ' A' ' 78' ' ' ALA . 23.7 m -138.87 90.93 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.486 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.85 74.68 2.17 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.406 -175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.509 HG23 HG22 ' A' ' 41' ' ' THR . 77.2 t -94.82 124.76 47.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -71.48 173.12 8.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.03 33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 48' ' ' GLY . 6.0 mm-40 -89.9 66.37 6.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.36 0.6 . . . . 0.0 110.367 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD21 ' HG3' ' A' ' 50' ' ' GLN . 12.4 tp 73.34 -22.17 0.24 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.719 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 46' ' ' GLU . . . 83.74 -118.04 4.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.6 174.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.83 4.2 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.71 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' HG3' HD21 ' A' ' 47' ' ' LEU . 16.3 tm0? -95.21 -57.76 2.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.4 -47.21 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.61 -45.06 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.682 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.14 -41.13 99.37 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.374 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -73.08 -28.45 62.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.703 0.287 . . . . 0.0 110.943 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HG3' HD11 ' A' ' 6' ' ' ILE . 48.9 tptt -58.1 -46.6 85.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.942 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD11 ' HB1' ' A' ' 24' ' ' ALA . 71.7 mt -61.97 -53.66 52.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.923 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.492 ' O ' HG21 ' A' ' 61' ' ' VAL . 10.8 mp -58.02 -42.18 84.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.991 -175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.44 -40.25 93.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.442 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.23 79.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.0 t -72.77 -44.64 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.635 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 57' ' ' LEU . 83.2 t -59.17 -35.96 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -56.32 -52.18 65.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.447 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -72.39 -31.13 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -65.1 -60.39 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' A' ' 90' ' ' ASP . 39.1 ttm180 -57.68 -36.81 72.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -55.47 -45.66 76.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.558 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.8 m120 -97.94 6.44 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.21 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.86 17.98 10.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.729 0.776 . . . . 0.0 110.529 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -68.88 142.22 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.852 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -111.71 138.05 48.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.676 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.0 mt -97.84 125.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.16 0.505 . . . . 0.0 112.131 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 10.1 pt -121.55 99.08 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.09 169.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . -87.78 135.22 33.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -174.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -103.09 -12.15 17.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.667 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 6.4 p -73.19 106.79 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.702 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -59.14 -35.02 72.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.36 -47.53 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.809 0.338 . . . . 0.0 111.27 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -80.14 -36.85 34.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.432 -176.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 63.2 tttm -62.27 -32.02 72.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.472 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -68.25 -18.42 64.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.667 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.4 mtt -74.96 -39.74 61.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 88' ' ' TYR . 28.5 mt -66.44 -36.69 83.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.053 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 31.3 mm-40 -60.51 -36.58 78.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -93.13 -57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.496 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 20.7 tt0 -77.95 107.81 10.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.586 0.708 . . . . 0.0 110.458 -175.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.37 -29.58 67.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.034 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.7 m -58.74 -23.63 60.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 20.5 m-85 -81.65 -13.49 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.664 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 42.6 mt-30 -80.22 9.19 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.141 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' CG ' HH21 ' A' ' 65' ' ' ARG . 15.0 t70 -67.05 -42.4 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.629 0.728 . . . . 0.0 109.367 172.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -108.34 -20.46 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 63.1 t80 -77.01 136.0 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.583 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.43 88.5 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.123 0.487 . . . . 0.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.88 157.46 53.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.551 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 95' ' ' LEU . 5.7 mp -101.28 145.5 28.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -112.85 158.29 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.155 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -64.6 154.01 37.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.177 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -93.22 145.51 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.031 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -104.4 -48.14 3.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.939 0.399 . . . . 0.0 110.266 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -107.46 96.15 6.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.964 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -87.18 83.3 7.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.35 0.595 . . . . 0.0 111.182 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.092 178.662 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t 70.3 156.64 0.15 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.82 0.7 . . . . 0.0 110.988 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -140.04 12.75 2.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.018 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -121.48 -151.72 0.49 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.022 -173.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 68.15 -178.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.611 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.12 106.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -91.25 113.2 25.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -78.31 158.71 28.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 111.708 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.46 177.81 31.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CD ' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -71.09 103.38 2.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.249 0.524 . . . . 0.0 110.698 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 72.14 19.93 4.39 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.176 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.25 148.73 23.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.753 175.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -114.42 135.35 54.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -139.98 147.28 40.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 56' ' ' LEU . 29.1 mt -109.37 122.73 64.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.485 0.66 . . . . 0.0 110.084 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.92 -178.39 31.65 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.46 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.625 ' HB2' HD22 ' A' ' 21' ' ' ASN . 11.6 m-20 -69.58 -39.43 77.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.775 0.787 . . . . 0.0 111.316 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -150.67 -168.6 3.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -12.11 32.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.811 0.338 . . . . 0.0 111.601 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -86.09 -22.73 26.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.625 HD22 ' HB2' ' A' ' 17' ' ' ASP . 30.4 p-10 -125.43 27.23 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.158 0.504 . . . . 0.0 110.12 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 122.57 16.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.734 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.21 -25.56 55.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.419 . . . . 0.0 110.217 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -156.53 130.13 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.454 174.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.77 150.01 52.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.321 0.582 . . . . 0.0 110.92 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 56' ' ' LEU . 16.0 tt -133.27 126.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.955 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.479 HG23 ' HB3' ' A' ' 12' ' ' LYS . 14.2 p -105.65 139.76 39.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 14.0 p90 -154.96 144.57 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.9 148.07 29.41 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -77.06 104.47 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.415 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.76 -32.48 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -133.37 -82.43 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.632 0.253 . . . . 0.0 111.187 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -125.49 -64.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.056 0.455 . . . . 0.0 111.041 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -118.22 0.06 11.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.599 0.714 . . . . 0.0 109.829 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -85.17 121.86 28.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.382 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 71' ' ' ILE . 21.4 pt -121.39 125.11 73.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.335 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -106.22 138.05 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.037 0.446 . . . . 0.0 110.512 -179.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 27' ' ' THR . 71.5 mt -96.96 105.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.927 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.4 -53.82 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.516 -173.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -139.33 141.64 37.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -144.51 107.02 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.037 174.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -112.5 106.64 1.91 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.931 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.3 122.83 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -69.85 151.43 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -109.77 19.5 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.285 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.09 -26.2 64.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.44 10.09 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.77 58.38 13.28 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.566 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 115.61 2.76 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.842 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -127.92 154.32 45.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.781 0.324 . . . . 0.0 110.436 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.65 -0.92 81.89 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.516 HG13 HD12 ' A' ' 15' ' ' ILE . 77.1 t -58.17 -40.82 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 123.457 0.703 . . . . 0.0 111.193 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.76 -55.7 20.95 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.312 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -67.6 -25.41 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.882 0.341 . . . . 0.0 111.469 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.46 -48.6 78.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.317 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HG13 ' A' ' 15' ' ' ILE . 97.1 mt -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 81' ' ' MET . 9.2 mp -60.44 -47.47 85.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.495 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.05 -33.49 76.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.845 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.46 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.224 0.535 . . . . 0.0 110.709 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.09 -45.17 80.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.731 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 57' ' ' LEU . 60.5 t -63.24 -39.84 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.387 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.61 -40.67 97.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.124 0.488 . . . . 0.0 110.231 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -71.45 -27.77 63.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.177 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.66 -36.68 81.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.341 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -65.17 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.44 -65.71 0.65 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.059 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -101.34 16.05 26.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.1 71.16 0.6 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 74.4 mt -103.99 142.89 33.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.884 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -98.1 116.05 29.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.888 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 36' ' ' ILE . 55.7 mt -91.04 116.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.338 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 16.7 pt -121.97 123.01 68.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.049 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.22 115.55 28.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.792 0.33 . . . . 0.0 111.439 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -79.16 -36.28 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.95 122.6 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.39 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 p -58.91 -36.53 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.444 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 81' ' ' MET . 84.1 t80 -61.47 -56.21 22.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.209 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -60.17 -40.54 90.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.783 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 92.1 m-70 -85.04 -23.51 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.119 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.483 ' HB3' HD23 ' A' ' 57' ' ' LEU . 83.3 mmm -60.35 -55.45 33.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.71 -20.19 62.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.466 0.65 . . . . 0.0 110.336 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 33.1 tt0 -77.06 -26.86 54.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.385 -176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 84' ' ' LYS . 38.7 mmtm -93.4 2.22 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -117.74 106.79 13.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.744 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.33 -24.06 65.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.747 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -70.71 -13.69 62.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -103.27 -10.18 18.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.765 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 78.74 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.33 0.586 . . . . 0.0 110.602 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -164.39 -44.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.97 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 m -95.35 -15.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.712 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.21 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.04 89.58 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -90.9 74.86 1.66 Allowed Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.748 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.8 tp -171.0 162.07 7.1 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -77.34 172.88 12.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -79.06 80.03 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 122.384 1.088 . . . . 0.0 109.428 174.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.04 -0.92 43.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.413 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -90.39 120.81 31.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.958 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -84.93 -68.64 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.369 0.604 . . . . 0.0 109.791 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -146.25 -35.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.081 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.5 m80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.108 -0.949 . . . . 0.0 109.265 175.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m 66.38 -83.18 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.908 -173.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -159.58 25.31 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.692 0.282 . . . . 0.0 110.544 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.76 -3.26 58.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.11 112.95 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.115 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 HD11 ' A' ' 15' ' ' ILE . 62.9 mt -60.98 113.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -95.67 141.81 28.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.257 0.551 . . . . 0.0 111.013 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.11 143.05 33.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.119 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 -167.69 11.55 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.93 98.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.851 0.325 . . . . 0.0 110.992 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.14 27.96 15.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.59 0.556 . . . . 0.0 111.335 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.517 ' HB3' HG21 ' A' ' 27' ' ' THR . 14.7 ptmm? -149.2 148.56 29.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.042 0.449 . . . . 0.0 111.337 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -118.8 137.72 53.19 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -138.68 138.11 37.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.378 0.609 . . . . 0.0 111.405 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.641 HG13 HD22 ' A' ' 56' ' ' LEU . 53.5 mt -119.69 137.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.352 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.07 -153.54 25.38 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.918 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.0 t70 -70.01 -52.05 27.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.006 0.431 . . . . 0.0 111.496 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -160.87 -177.66 6.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.9 -29.01 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.38 -33.29 63.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.334 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 47.0 m-80 -122.27 55.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.125 -177.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.18 128.27 35.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD12 HD22 ' A' ' 47' ' ' LEU . 92.3 mt -91.56 -19.12 23.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.104 0.478 . . . . 0.0 109.859 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.49 109.07 1.45 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.109 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.5 140.23 52.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.303 0.573 . . . . 0.0 110.964 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -130.73 133.37 63.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.055 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.517 HG21 ' HB3' ' A' ' 12' ' ' LYS . 72.5 p -110.73 139.05 46.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 -178.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -133.27 103.74 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.717 0.77 . . . . 0.0 109.438 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -114.69 159.25 20.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.453 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -83.65 128.18 34.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 HG22 HD12 ' A' ' 72' ' ' ILE . 14.2 m -101.21 -13.57 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.827 0.822 . . . . 0.0 108.835 169.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.0 t70 -155.34 176.66 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.174 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.27 -31.97 72.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 3.4 p-10 -124.56 15.04 8.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 111.278 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 45.6 mt-10 -130.18 130.46 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.484 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.3 pt -122.39 153.97 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.28 149.75 48.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.176 177.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.13 110.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.449 ' HB2' ' HG1' ' A' ' 27' ' ' THR . 9.6 m-20 -76.35 -65.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -116.13 137.74 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.363 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.425 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 17.2 m -140.19 88.67 2.23 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.747 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.77 74.65 0.23 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.831 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.83 102.85 14.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 m -64.05 126.93 29.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.227 0.537 . . . . 0.0 110.517 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -88.1 -4.11 58.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.99 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.67 -17.35 63.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.073 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD22 HD12 ' A' ' 23' ' ' LEU . 88.9 mt -69.49 -9.78 55.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.95 -129.14 9.79 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.652 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.03 27.29 19.84 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.373 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -88.25 118.47 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.01 53.44 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.383 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.502 HG13 HD13 ' A' ' 15' ' ' ILE . 49.4 t -60.09 -41.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 -178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.11 97.89 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.759 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 25.9 ttmt -65.86 -39.99 91.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.526 0.203 . . . . 0.0 111.228 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -42.63 87.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.015 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD22 HG13 ' A' ' 15' ' ' ILE . 87.8 mt -65.21 -46.41 80.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.4 -35.34 80.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.82 -49.45 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.571 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.11 86.62 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.61 -46.51 94.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 88' ' ' TYR . 86.6 t -64.6 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.878 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.78 -43.81 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.359 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -63.7 -41.17 98.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.069 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.65 78.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -56.09 -48.62 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.31 -45.62 79.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.187 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.43 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -85.78 1.75 48.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.95 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.9 OUTLIER 64.34 33.01 11.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 61.0 mt -86.62 145.26 26.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.599 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 4.8 mptp? -96.53 139.21 32.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.6 mt -108.87 122.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.33 0.586 . . . . 0.0 112.3 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 31' ' ' VAL . 12.0 pt -123.76 108.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 170.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.8 111.24 20.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.296 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.4 t -72.33 -41.54 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.425 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 52.1 t -64.04 117.1 6.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.937 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 45.5 m -64.81 -16.8 63.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.154 -175.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.87 -50.03 58.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.52 62.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.273 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HG3' HD11 ' A' ' 95' ' ' LEU . 38.4 ttmt -52.23 -57.37 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.586 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 57.6 m-70 -69.01 -21.45 64.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.7 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.3 ttm -73.07 -36.81 66.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 109.913 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.04 -29.45 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.293 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 74.8 mt-10 -68.64 -40.72 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.7 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 30.7 mmtp -85.94 -44.53 12.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.89 -169.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -87.48 118.78 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.12 -26.14 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.754 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -60.44 -24.78 65.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.819 0.343 . . . . 0.0 110.717 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 61' ' ' VAL . 24.0 m-85 -100.51 -22.86 14.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.826 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.1 tt0 -69.4 -14.44 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.442 -173.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.69 -40.64 92.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 111.13 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.63 7.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.604 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.826 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 69.6 t80 -100.49 136.41 40.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 70' ' ' LYS . 7.4 mp -81.13 -69.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.273 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.28 107.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.864 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' ' 79' ' ' LYS . 90.2 mt -107.36 27.93 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.555 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -130.28 -78.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 0.0 110.124 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -143.09 107.23 4.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.069 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -109.52 1.38 19.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -171.63 159.67 5.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.494 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -84.44 -79.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -138.08 -24.2 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.872 171.365 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -72.46 90.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.881 0.372 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -158.75 146.27 17.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.813 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -116.29 -94.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.651 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.813 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 55.1 mt-10 66.56 135.08 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.39 0.676 . . . . 0.0 111.717 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -78.75 93.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -84.51 116.7 23.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.599 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -100.32 138.88 36.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.361 0.6 . . . . 0.0 110.76 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.35 142.96 5.73 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.909 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 45.48 46.15 10.67 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.011 0.924 . . . . 0.0 113.181 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 69.51 16.48 8.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.968 0.507 . . . . 0.0 111.086 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HB2' HG21 ' A' ' 27' ' ' THR . 33.9 ttpt -125.32 127.13 46.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.258 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -101.1 104.01 15.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 35.5 p90 -120.03 126.8 51.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.413 0.625 . . . . 0.0 111.251 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 HG13 HD23 ' A' ' 56' ' ' LEU . 29.0 mt -90.27 115.01 28.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.504 173.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.4 163.6 30.07 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.954 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.46 -8.7 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.4 t70 -158.41 161.81 37.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.23 -40.68 94.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.291 . . . . 0.0 110.598 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -83.87 -3.83 58.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 35.7 m-80 -117.9 30.79 7.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.43 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 14' ' ' TYR . . . -76.25 109.75 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.055 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 -26.73 48.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.298 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -146.37 98.72 3.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.984 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.1 pt-20 -116.21 116.63 28.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.47 . . . . 0.0 111.356 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 60' ' ' VAL . 15.1 tt -106.42 118.32 53.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.156 0.503 . . . . 0.0 109.981 176.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 12' ' ' LYS . 82.2 p -110.3 140.04 44.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 -175.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' HB3' HG13 ' A' ' 38' ' ' ILE . 32.3 p90 -146.62 134.42 21.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.105 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 51.8 mtm180 -109.16 143.47 38.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.075 0.464 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -81.2 87.4 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.152 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.77 -20.5 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.217 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 23.2 t0 -153.07 52.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.441 0.638 . . . . 0.0 110.034 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.65 -77.29 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.942 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.421 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 4.1 m-20 -89.8 -9.55 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.852 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 2.9 tp10 -86.32 105.42 16.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.276 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.605 HD13 HG12 ' A' ' 71' ' ' ILE . 31.8 pt -105.87 116.52 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.63 0.729 . . . . 0.0 111.427 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' HG13 ' A' ' 72' ' ' ILE . 6.7 t30 -98.61 113.04 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 28' ' ' TYR . 2.2 mp -78.98 108.2 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.78 -56.04 9.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.712 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -152.59 142.88 22.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.956 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.491 HG23 HG21 ' A' ' 43' ' ' VAL . 22.2 m -108.9 89.2 2.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.63 78.9 1.94 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.601 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.5 HG22 ' HB1' ' A' ' 24' ' ' ALA . 43.9 t -104.65 121.65 56.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.6 t -69.79 130.92 43.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.47 0.653 . . . . 0.0 109.843 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.72 86.94 2.5 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.56 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -116.07 9.02 14.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.768 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt -140.53 -61.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.765 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.89 -162.51 30.89 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.64 82.4 0.71 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HA ' ' OE1' ' A' ' 50' ' ' GLN . 5.8 tp60 -90.68 168.17 11.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' H ' ' HG3' ' A' ' 50' ' ' GLN . . . -56.4 -30.46 58.56 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 116.486 -0.324 . . . . 0.0 113.685 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.2 -39.56 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 111.601 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.61 -52.44 52.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.55 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -74.22 -20.78 60.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.699 -0.295 . . . . 0.0 110.929 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.95 -40.6 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD23 HG13 ' A' ' 15' ' ' ILE . 73.9 mt -67.54 -50.66 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.64 -37.39 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -54.72 -55.36 30.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.756 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 HD12 ' A' ' 26' ' ' ILE . 59.6 t -67.6 -51.72 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.12 -178.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.59 -38.87 83.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.708 0.29 . . . . 0.0 110.912 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 35.1 tt0 -61.88 -50.83 70.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -66.97 -34.18 77.2 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.568 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -61.34 -52.49 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -62.12 -30.06 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.3 mt-10 -58.34 -47.75 82.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.989 0.423 . . . . 0.0 111.225 175.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.497 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 35.4 m-80 -101.8 12.34 37.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.806 -171.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 62.85 35.06 13.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.679 0.752 . . . . 0.0 110.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 64' ' ' ALA . 74.5 mt -82.95 134.89 35.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.686 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 8.8 mtmp? -103.07 131.18 50.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.112 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.605 HG12 HD13 ' A' ' 36' ' ' ILE . 42.1 mt -94.75 119.36 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.298 -169.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' ' 37' ' ' ASN . 16.1 pt -118.48 106.42 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.724 170.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.72 116.07 27.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.351 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.8 t -88.92 -16.53 31.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.41 138.72 31.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.683 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -59.43 -44.18 92.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.543 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.34 -57.78 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.421 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.87 93.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.388 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -65.36 -29.27 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -72.84 -38.81 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.979 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.2 mtp -69.91 -48.42 58.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.11 -30.96 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.397 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -84.83 -17.34 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -86.14 -29.69 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 109.63 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.41 111.62 22.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.159 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.39 -38.68 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.4 m -68.56 -28.16 66.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.132 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -80.47 -11.27 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.681 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.856 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 41.1 mt-30 -81.76 7.52 12.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.546 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.09 -55.6 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.372 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -9.67 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.769 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.856 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 59.0 t80 -83.21 119.36 24.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.193 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 70' ' ' LYS . 2.4 pt? -114.23 -33.45 5.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.673 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.42 -132.82 30.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.468 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.93 134.69 40.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.364 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.65 -55.64 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.003 0.43 . . . . 0.0 109.992 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -110.97 145.68 37.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.308 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -65.68 98.03 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.005 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.482 ' HD2' ' O ' ' A' ' 100' ' ' HIS . 2.4 t60 -100.53 139.63 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.774 -173.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.482 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 4.9 t60 -81.51 142.35 32.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.338 176.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -64.89 156.32 31.36 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.843 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.017 177.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.722 0.296 . . . . 0.0 110.521 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -133.28 -72.43 0.5 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.295 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -159.14 147.16 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.67 83.38 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.514 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.6 139.58 49.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.413 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.83 97.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.152 0.501 . . . . 0.0 110.383 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 10.6 mmmm -86.9 130.17 34.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.772 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.38 130.24 53.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.87 -146.71 8.8 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.312 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 85.05 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.989 0.516 . . . . 0.0 110.662 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.62 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 49.6 m-80 45.86 49.49 11.68 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.863 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CB ' HG23 ' A' ' 27' ' ' THR . 60.1 pttt -153.73 163.78 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.75 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -120.98 134.14 55.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 3.6 p90 -149.47 140.11 22.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 0.0 110.824 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.45 HG13 HD22 ' A' ' 56' ' ' LEU . 58.1 mt -125.09 124.82 68.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.169 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.3 -178.89 47.31 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.054 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.33 -25.99 38.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.792 0.806 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 23.0 t70 -153.48 169.13 23.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.804 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.409 0.623 . . . . 0.0 109.807 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -76.88 -34.08 57.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.759 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.6 m-20 -92.87 39.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.223 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 112.06 5.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.248 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -84.96 -31.91 23.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -139.78 105.37 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.08 177.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 148.75 45.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.963 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.29 117.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.238 0.542 . . . . 0.0 110.051 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.415 HG23 ' CB ' ' A' ' 12' ' ' LYS . 39.3 p -107.04 139.67 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.081 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -131.13 165.07 24.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.62 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.6 153.42 43.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.397 178.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.42 100.44 13.04 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -78.54 -41.75 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.941 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.85 -88.52 0.62 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.764 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -123.91 -65.93 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.242 -0.287 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 91.9 m-20 -113.41 -5.39 13.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.211 0.529 . . . . 0.0 110.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.87 114.51 15.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.458 HD13 HG12 ' A' ' 71' ' ' ILE . 23.6 pt -104.03 123.38 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.206 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' HA ' HG13 ' A' ' 72' ' ' ILE . 35.7 t30 -102.58 118.19 36.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.819 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.0 110.74 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -60.52 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.973 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -124.04 147.39 47.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.99 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -132.43 88.17 2.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.089 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.81 61.22 4.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.97 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 75.0 t -97.11 122.69 48.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 t -65.33 136.35 56.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.623 0.725 . . . . 0.0 111.149 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -105.43 -6.49 19.45 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.74 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -90.63 -9.96 45.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.815 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.74 -61.48 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.733 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.83 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.032 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.14 120.61 6.94 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.127 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -92.68 4.9 52.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.582 0.23 . . . . 0.0 110.959 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -57.12 -30.05 60.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.202 177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.91 -27.44 38.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 122.439 0.296 . . . . 0.0 111.476 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.98 94.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.668 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -78.91 -22.9 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.519 0.199 . . . . 0.0 110.476 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 73.2 mmtt -60.22 -53.7 54.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 175.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -69.09 -39.51 78.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.44 -42.35 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -64.28 -40.96 97.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.238 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.7 89.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.877 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 56' ' ' LEU . 96.0 t -66.31 -52.08 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.2 t -58.54 -46.9 89.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 31.5 tt0 -60.09 -48.04 83.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.374 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.482 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 78.0 t60 -69.65 -31.69 69.92 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.965 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.3 92.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.253 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -62.5 -33.43 74.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.518 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 42.8 mt-10 -60.31 -49.6 76.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.045 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -99.49 11.77 38.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.849 -172.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 59.82 37.31 21.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.623 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 83.2 mt -84.16 150.83 25.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.546 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.01 123.79 48.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.657 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.538 ' HB ' ' HA ' ' A' ' 92' ' ' TYR . 58.2 mt -92.57 120.85 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.88 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' A' ' 37' ' ' ASN . 29.9 pt -128.75 155.29 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.904 171.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.24 126.55 19.97 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.868 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -84.04 -25.48 29.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.98 107.5 9.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.989 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 17.2 m -62.18 -28.44 69.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.663 -176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.96 -53.0 63.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.307 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HA ' ' HE2' ' A' ' 81' ' ' MET . . . -72.58 -36.21 68.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 61.9 tttm -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.3 -22.78 61.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.231 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.467 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 68.7 mtm -71.92 -38.78 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.038 0.447 . . . . 0.0 109.993 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD23 ' CD2' ' A' ' 88' ' ' TYR . 46.6 mt -71.85 -33.38 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.222 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.25 -30.4 62.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -80.49 -27.93 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 88' ' ' TYR . 6.5 tp10 -90.52 106.01 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.221 0.534 . . . . 0.0 110.189 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.39 -28.43 68.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 m -75.19 -0.58 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 85' ' ' GLU . 21.0 m-30 -105.19 -3.36 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.074 -0.391 . . . . 0.0 111.306 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -81.62 28.22 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -173.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.74 -21.11 12.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.856 0.36 . . . . 0.0 110.121 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 m -120.28 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.538 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 30.4 t80 -80.28 127.45 32.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.979 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.8 66.73 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.44 1.28 57.14 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 173.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 pp -91.39 32.1 1.09 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.601 -0.8 . . . . 0.0 110.834 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -55.34 -47.16 76.11 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.642 -172.504 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 17.6 p80 174.34 -37.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 172.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -96.91 -32.32 12.12 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.724 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.5 m80 53.92 -161.06 0.13 Allowed 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.215 0.322 . . . . 0.0 110.626 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.511 ' HD2' ' H ' ' A' ' 102' ' ' HIS . 40.1 t60 61.86 -84.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.926 0.49 . . . . 0.0 111.912 170.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 177.6 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.511 ' H ' ' HD2' ' A' ' 100' ' ' HIS . 32.7 t-80 . . . . . 0 C--O 1.241 0.628 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.449 168.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 ttp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.919 0.39 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.445 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -115.65 -167.27 1.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -98.74 -21.53 16.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' H ' HD21 ' A' ' 4' ' ' LEU . 1.7 pt? -90.42 33.04 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.907 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.486 ' HB2' ' HZ1' ' A' ' 7' ' ' LYS . 6.3 mm-40 -68.82 125.45 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 HG12 HD13 ' A' ' 15' ' ' ILE . 57.9 mt -73.8 106.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.901 0.381 . . . . 0.0 109.988 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' HZ1' ' HB2' ' A' ' 5' ' ' GLU . 61.1 mttp -102.01 137.9 39.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.062 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.32 149.26 22.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.8 0.333 . . . . 0.0 110.173 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 -166.76 14.17 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.978 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 21.8 mp0 -63.46 101.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.26 0.224 . . . . 0.0 110.716 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 m120 60.52 27.08 16.73 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.618 0.573 . . . . 0.0 111.432 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HB3' HG22 ' A' ' 27' ' ' THR . 22.5 pttm -157.19 160.05 38.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 0.0 112.039 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.24 134.45 50.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -136.97 138.64 40.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.469 0.652 . . . . 0.0 111.718 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.65 HG13 HD22 ' A' ' 56' ' ' LEU . 42.7 mt -110.76 123.0 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.787 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 174.55 163.39 27.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.133 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' HD21 ' A' ' 21' ' ' ASN . 20.2 t70 -67.8 -42.89 80.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.586 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -132.93 167.01 21.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.211 0.529 . . . . 0.0 109.914 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -85.83 -31.3 22.35 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.514 HD21 ' HB3' ' A' ' 17' ' ' ASP . 62.9 t30 -98.84 43.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.879 -177.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -80.36 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.005 177.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -86.76 -18.97 29.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.701 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.695 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.55 112.54 1.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.85 140.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.219 0.533 . . . . 0.0 110.617 177.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.46 130.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.347 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 12' ' ' LYS . 70.3 p -111.12 138.33 47.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -118.85 119.65 34.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -102.77 148.55 25.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -97.76 106.79 19.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.728 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 m -86.33 -42.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.778 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.99 99.91 2.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 0.0 111.63 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 60.6 -82.76 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.711 172.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -118.09 1.42 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.97 111.51 23.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -111.44 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.1 p30 -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.98 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.493 HG22 ' CB ' ' A' ' 78' ' ' ALA . 2.1 mp -70.69 110.84 3.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.46 -42.75 13.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.737 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -140.43 141.4 35.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.2 m -146.97 97.62 2.92 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.695 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -107.51 91.13 0.68 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.439 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 24' ' ' ALA . 47.4 t -106.05 106.53 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.819 0.343 . . . . 0.0 110.703 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 p -91.1 123.66 34.73 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -87.56 -50.77 6.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.581 -176.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 56.47 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.801 0.84 . . . . 0.0 112.041 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.78 -33.15 66.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.149 0.5 . . . . 0.0 109.787 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.6 -44.19 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.005 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 52' ' ' VAL . . . 86.35 -44.74 3.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.682 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 62.35 -88.43 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.096 0.558 . . . . 0.0 111.058 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -156.76 35.34 0.58 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.563 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 49' ' ' GLY . 60.7 t -56.39 -45.11 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.857 0.361 . . . . 0.0 110.538 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 57' ' ' LEU . . . -61.37 -39.35 97.14 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.305 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -68.43 -35.17 77.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.552 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 67.7 mttm -68.06 -38.84 82.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.311 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.65 HD22 HG13 ' A' ' 15' ' ' ILE . 74.2 mt -61.07 -48.39 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.968 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' HG21 ' A' ' 61' ' ' VAL . 7.1 mp -54.98 -47.52 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.747 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 25.0 ttpp -57.87 -46.66 84.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.87 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.024 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 56' ' ' LEU . 89.4 t -62.77 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.06 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 57' ' ' LEU . 91.2 t -58.75 -44.65 90.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 38.1 mm-40 -55.89 -56.8 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.994 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -62.78 -39.42 94.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.754 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.19 97.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -33.02 75.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.233 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 48.5 mt-10 -69.59 -35.75 75.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.802 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.55 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m120 -96.94 -0.46 47.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.312 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.8 t30 57.59 47.11 16.54 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.825 0.821 . . . . 0.0 110.651 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.2 mt -90.35 147.56 23.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.818 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -106.04 137.03 44.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -110.57 126.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 0.0 112.682 -169.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.2 pt -125.43 176.8 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.504 167.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.6 129.56 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.268 -0.573 . . . . 0.0 112.035 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -90.65 -32.66 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.13 119.9 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.113 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -63.52 -36.19 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.91 -46.73 81.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.493 ' CB ' HG22 ' A' ' 38' ' ' ILE . . . -74.65 -38.81 62.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.9 -40.52 80.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -66.87 -33.5 75.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.443 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 74.7 mtm -73.5 -43.16 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.789 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.5 -30.55 71.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.042 0.448 . . . . 0.0 110.944 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.33 -25.41 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.056 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.12 -32.77 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -120.79 117.2 26.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 0.0 110.052 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 17.3 m-20 -77.05 3.94 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.489 -173.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 m -74.5 -16.1 60.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.948 0.404 . . . . 0.0 110.503 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -87.98 1.13 54.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.838 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 86' ' ' ASP . 47.6 mt-30 -62.8 -14.83 50.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.03 -36.56 80.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.193 0.521 . . . . 0.0 110.998 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG21 HG22 ' A' ' 61' ' ' VAL . 15.2 m -110.0 -39.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -84.29 112.96 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.9 mt -86.49 -73.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.19 113.83 0.44 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.005 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.95 104.74 15.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.596 -0.355 . . . . 0.0 110.358 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' OE2' ' HA ' ' A' ' 100' ' ' HIS . 6.2 pt-20 -63.33 -41.46 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.206 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.0 t60 65.73 -78.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.447 0.699 . . . . 0.0 112.633 172.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -61.87 -64.27 0.99 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.261 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -80.39 118.61 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 167.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.406 ' HA ' ' OE2' ' A' ' 96' ' ' GLU . 16.4 p-80 -129.72 108.39 10.15 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.244 0.545 . . . . 0.0 111.404 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 60.35 31.48 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.127 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.702 179.692 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.614 0.245 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -78.08 107.74 10.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -156.69 -170.15 3.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mp 59.77 25.16 14.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.259 0.552 . . . . 0.0 110.246 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.89 -174.92 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.851 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 59' ' ' ALA . 56.5 mt -78.71 105.8 8.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.487 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -94.39 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -79.7 156.5 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.764 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.66 -158.7 10.14 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.828 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.63 90.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.375 0.67 . . . . 0.0 112.361 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.16 23.79 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.941 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.42 148.01 22.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.861 -177.094 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -105.22 133.99 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -134.8 150.83 50.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.389 0.614 . . . . 0.0 111.71 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -123.2 116.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.047 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.68 166.6 30.66 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.176 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.63 -35.29 80.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -159.48 168.38 26.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 38.8 mt-10 -71.57 -22.5 61.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.66 0.664 . . . . 0.0 111.281 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.44 -31.32 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -110.01 31.19 6.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.716 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -67.27 106.72 2.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.02 -37.09 69.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 43' ' ' VAL . . . -155.65 128.79 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -138.61 143.04 39.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.172 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.94 113.13 36.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 32.6 p -89.12 140.66 29.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.187 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 44.4 p90 -134.91 128.79 33.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.221 0.534 . . . . 0.0 110.398 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.67 166.57 12.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.885 -178.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -101.22 105.98 17.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.0 -26.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -136.63 -75.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.692 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -165.23 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' HD23 ' A' ' 69' ' ' LEU . 60.4 t30 -89.46 -6.59 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.938 0.875 . . . . 0.0 109.747 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.809 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 34.5 mt-10 -107.38 115.34 29.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.722 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 33.5 pt -112.55 135.34 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.148 0.499 . . . . 0.0 110.851 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.2 p-10 -109.37 138.56 45.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -178.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 27' ' ' THR . 3.1 mp -85.24 102.26 10.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -58.81 -68.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.34 0.591 . . . . 0.0 110.395 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 14.4 p-80 -132.57 149.45 52.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.098 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 HG23 ' A' ' 43' ' ' VAL . 12.0 m -113.32 94.45 4.88 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -80.76 63.09 4.3 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.758 -172.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.506 HG23 HG23 ' A' ' 41' ' ' THR . 92.8 t -96.16 119.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.46 ' OG ' ' HG2' ' A' ' 46' ' ' GLU . 22.7 t -70.22 148.98 47.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.028 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.01 -18.86 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HG2' ' OG ' ' A' ' 44' ' ' SER . 10.7 pt-20 -76.32 87.33 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.43 0.633 . . . . 0.0 111.335 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp 72.38 -5.24 1.84 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.351 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.34 -20.71 63.53 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.7 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.99 -4.49 89.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.924 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -94.7 88.23 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.155 0.478 . . . . 0.0 110.468 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.05 -47.71 2.91 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.97 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.5 t -49.88 -48.05 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 123.071 0.548 . . . . 0.0 112.152 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.55 -38.27 80.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -79.61 -21.84 44.43 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.552 -0.381 . . . . 0.0 110.806 -176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.49 -35.91 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 109.864 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -69.25 -41.12 77.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.49 -42.57 92.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.86 -46.11 78.3 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.567 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . -53.52 -49.45 67.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.448 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.04 -45.77 62.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.346 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.59 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.639 0.257 . . . . 0.0 111.093 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.41 -52.15 66.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.467 . . . . 0.0 110.492 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -70.17 -27.03 64.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.071 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.92 87.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.331 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.906 HH12 ' HB2' ' A' ' 90' ' ' ASP . 14.5 mmt180 -57.79 -41.11 81.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.101 0.477 . . . . 0.0 110.536 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.52 -56.69 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.612 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.529 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -87.99 -4.44 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.021 -170.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.9 OUTLIER 66.94 34.49 5.26 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.09 0.472 . . . . 0.0 110.198 -178.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 63.7 mt -73.61 151.7 40.77 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.398 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.809 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 89.6 mttt -92.76 135.08 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.535 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 49.6 mm -108.69 115.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.109 0.48 . . . . 0.0 111.6 -176.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.8 148.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.201 171.245 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.84 140.07 52.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.8 t -92.99 -37.68 12.07 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.2 t -63.69 117.41 6.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.384 177.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -56.89 -38.54 72.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.02 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -57.82 -56.87 16.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.24 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.23 -45.13 91.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.536 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -70.56 -26.41 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.168 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 24.7 ttp -77.98 -42.63 32.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.23 -28.85 69.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.79 -19.13 55.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.503 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -97.54 -41.05 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.547 -175.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -88.31 141.99 28.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.326 0.584 . . . . 0.0 111.512 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.45 -27.95 56.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.051 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 p -64.33 -15.92 61.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -105.37 -3.05 23.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.6 0.238 . . . . 0.0 111.075 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.3 1.34 9.68 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.166 0.507 . . . . 0.0 112.178 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.906 ' HB2' HH12 ' A' ' 65' ' ' ARG . 46.4 m-20 -95.37 -39.78 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.96 0.409 . . . . 0.0 110.706 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 m -99.33 -34.85 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 33.3 t80 -71.67 127.02 31.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.909 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.43 73.47 3.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.791 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.81 9.18 73.52 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.487 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.5 pt? -60.67 -38.38 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.192 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.21 86.28 4.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.7 0.762 . . . . 0.0 111.087 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -109.75 34.64 3.71 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.673 174.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.56 119.44 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.922 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.0 t60 63.14 92.82 0.06 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.87 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -130.33 94.52 3.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.401 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -143.78 111.23 5.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.471 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.514 178.257 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.942 0.401 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -96.23 74.29 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.576 HD22 ' HB3' ' A' ' 5' ' ' GLU . 5.1 p-10 -177.98 163.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.098 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.17 79.78 9.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.576 ' HB3' HD22 ' A' ' 3' ' ' ASN . 6.7 pt-20 -89.26 144.17 26.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.83 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.442 HD11 ' HG2' ' A' ' 55' ' ' LYS . 54.8 mt -91.6 116.41 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.665 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.16 120.42 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.06 135.48 36.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.88 -172.09 22.27 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.438 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.88 99.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 111.731 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.5 m120 62.66 15.48 8.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.718 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HB3' HG22 ' A' ' 27' ' ' THR . 8.5 ptpp? -142.53 140.15 31.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.365 0.603 . . . . 0.0 111.976 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -120.72 122.22 39.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 30.5 p90 -138.85 145.9 40.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.208 0.528 . . . . 0.0 112.045 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.622 HG13 HD23 ' A' ' 56' ' ' LEU . 68.3 mt -111.09 119.93 60.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.734 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.8 175.72 37.83 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.13 -28.21 20.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.424 0.612 . . . . 0.0 110.276 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -138.61 166.59 23.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.98 -28.52 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.628 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.02 -53.17 33.82 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -99.0 33.59 2.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.77 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.84 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.14 -34.5 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.62 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.92 123.75 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 174.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -127.24 138.04 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.603 174.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -120.73 131.09 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.075 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 12' ' ' LYS . 33.9 p -117.36 137.84 52.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 35.1 p90 -135.27 139.35 44.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.032 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -127.2 141.33 51.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -76.41 111.25 11.67 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -82.4 -43.96 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.341 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 15.6 t70 -116.73 -77.94 0.57 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.229 -177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.98 -78.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -95.0 -3.46 48.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.27 0.557 . . . . 0.0 110.316 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 52.6 mp0 -81.47 110.57 17.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.998 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.454 HD13 HG12 ' A' ' 71' ' ' ILE . 33.9 pt -104.76 132.25 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.3 p30 -109.09 132.03 54.5 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.778 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.55 104.31 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.442 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.79 -43.83 57.73 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.656 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -149.38 137.1 20.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.092 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.484 HG22 HG21 ' A' ' 43' ' ' VAL . 48.5 m -135.35 99.08 4.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -101.6 85.51 0.56 Allowed Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.732 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 41' ' ' THR . 52.8 t -97.58 105.79 17.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -81.46 122.41 27.49 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.258 0.552 . . . . 0.0 109.712 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -113.52 103.69 11.52 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.926 0.87 . . . . 0.0 110.252 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -85.36 17.07 3.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.87 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt 71.23 3.49 4.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.613 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.03 156.64 27.71 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 25.28 70.76 Favored Glycine 0 C--O 1.234 0.153 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.367 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -108.54 -175.08 2.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 111.618 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.18 6.82 25.53 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 HD13 ' A' ' 15' ' ' ILE . 61.7 t -74.4 -35.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.571 -0.815 . . . . 0.0 110.593 -177.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.53 94.16 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.852 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.584 0.231 . . . . 0.0 110.93 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.8 ttmm -64.69 -37.06 86.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 110.174 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD23 HG13 ' A' ' 15' ' ' ILE . 95.5 mt -66.32 -50.35 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.26 -35.73 78.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.48 -48.0 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.93 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.7 t -63.62 -54.02 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.588 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 91.9 t -61.51 -37.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.701 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -55.34 -52.15 64.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 110.385 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -67.81 -30.67 70.14 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.52 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.364 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 17.7 mmm180 -67.07 -43.4 82.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.364 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.52 -61.2 2.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.132 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -89.42 -8.2 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 68.09 84.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.897 0.856 . . . . 0.0 109.641 -174.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.49 148.48 37.8 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.732 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HB3' HD12 ' A' ' 93' ' ' LEU . 97.0 mttt -105.33 123.69 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.454 HG12 HD13 ' A' ' 36' ' ' ILE . 64.2 mt -99.94 117.64 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.216 0.531 . . . . 0.0 112.092 -172.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 15.3 pt -117.55 148.93 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.056 170.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 79' ' ' LYS . . . -115.38 117.16 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.893 0.378 . . . . 0.0 111.712 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -88.8 -25.77 22.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.23 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.2 t -81.9 124.4 29.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.901 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m -61.77 -45.22 94.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.475 ' HE2' ' HB ' ' A' ' 43' ' ' VAL . 72.4 t80 -60.14 -41.03 91.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.07 84.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.039 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 39.0 ttpt -63.4 -36.89 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -66.25 -30.71 71.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.272 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.5 mtp -73.45 -36.99 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.47 -38.35 89.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.24 -33.77 76.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.337 175.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -70.8 -49.61 44.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -99.17 92.0 5.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 109.979 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -72.11 -8.37 54.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.101 -174.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -64.0 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 0.0 110.441 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CD1' HG22 ' A' ' 61' ' ' VAL . 21.3 m-85 -85.46 -13.76 48.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.737 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 mt-30 -76.32 5.02 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.66 -39.38 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 109.933 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.8 m -98.73 2.02 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.682 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.737 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 33.9 t80 -88.97 114.42 25.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.555 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 70' ' ' LYS . 2.5 mp -66.72 -39.78 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.588 -176.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.468 ' HA2' ' CZ ' ' A' ' 92' ' ' TYR . . . 86.24 157.22 29.35 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.179 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.1 mt -95.06 147.79 23.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.75 122.71 17.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.012 0.434 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -105.81 41.92 1.32 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.355 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -77.5 171.06 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -138.9 151.09 46.66 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -96.24 94.3 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -173.72 122.94 0.35 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.066 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.488 178.474 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 121.156 0.503 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -142.16 162.49 35.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.229 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -93.32 17.53 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 109.732 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.9 mt -128.96 37.43 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.271 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -98.35 157.16 16.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.484 HG12 HD13 ' A' ' 15' ' ' ILE . 55.9 mt -86.36 114.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.937 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 148.95 22.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.459 ' N ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -112.99 129.51 56.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.99 0.424 . . . . 0.0 111.326 -173.286 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.32 -173.23 13.26 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.785 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 26.6 mt-10 -70.46 100.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.498 0.189 . . . . 0.0 110.888 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 27' ' ' THR . 12.4 m120 72.74 9.98 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.104 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HB3' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -139.42 143.22 37.54 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.091 -0.644 . . . . 0.0 112.377 -179.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -112.23 127.13 55.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.729 ' HH ' ' HG3' ' A' ' 19' ' ' GLU . 38.2 p90 -131.61 133.97 45.53 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.459 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 6' ' ' ILE . 69.1 mt -111.3 127.13 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.934 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.69 175.26 40.5 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.385 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.12 -37.27 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.215 0.531 . . . . 0.0 110.565 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -146.18 170.25 17.11 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.729 ' HG3' ' HH ' ' A' ' 14' ' ' TYR . 7.4 mp0 -61.86 -36.76 82.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.78 -37.09 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.136 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.43 37.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.73 105.12 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.094 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.06 -31.37 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -150.87 117.68 5.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -122.88 139.37 54.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.125 0.488 . . . . 0.0 110.318 175.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' HB ' HG23 ' A' ' 41' ' ' THR . 13.5 tt -125.72 123.68 64.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.738 ' HG1' ' HB3' ' A' ' 39' ' ' ASP . 28.3 p -105.36 138.12 42.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.548 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.8 p90 -146.28 137.71 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -139.41 144.97 38.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.646 0.26 . . . . 0.0 110.848 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -68.42 110.22 4.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.935 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.13 -27.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 0.0 110.468 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.26 94.61 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 59.4 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.585 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -104.38 -14.4 15.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.622 0.249 . . . . 0.0 111.47 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' CG ' ' HD2' ' A' ' 70' ' ' LYS . 45.8 mt-10 -80.99 117.16 21.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 0.0 111.105 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 pt -109.26 121.66 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 4.2 t-20 -94.06 120.46 34.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.441 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.541 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.5 mp -80.15 107.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.738 ' HB3' ' HG1' ' A' ' 27' ' ' THR . 35.9 t70 -74.46 -60.89 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.194 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 23.7 p-80 -144.34 144.51 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.091 0.472 . . . . 0.0 111.001 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.507 HG23 ' HB ' ' A' ' 26' ' ' ILE . 17.4 m -134.73 100.73 4.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.286 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.762 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.83 114.03 4.89 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.365 -175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.52 109.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.33 122.74 19.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.019 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -93.34 89.49 6.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.463 0.649 . . . . 0.0 111.417 -174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 47' ' ' LEU . 6.1 pt-20 -109.85 -60.6 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.876 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' A' ' 46' ' ' GLU . 7.0 mp -71.11 -62.58 1.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.025 0.44 . . . . 0.0 110.157 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.19 -139.5 6.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.6 78.45 1.87 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.017 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -98.81 154.69 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.648 0.261 . . . . 0.0 110.466 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.01 31.96 2.0 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.788 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.3 t -73.74 -47.29 44.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.107 0.479 . . . . 0.0 110.162 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.5 -28.63 73.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.176 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' HE2' ' OH ' ' A' ' 88' ' ' TYR . 12.6 tptm -64.77 -36.06 83.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 110.225 -178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.13 -37.31 69.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.456 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD23 HG13 ' A' ' 15' ' ' ILE . 89.3 mt -61.46 -46.92 88.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.74 -46.08 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.716 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.62 -39.25 83.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.61 98.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.5 -49.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.489 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 HG11 HG21 ' A' ' 91' ' ' VAL . 85.4 t -58.21 -40.86 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -55.11 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -71.7 -25.49 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.561 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.49 -54.43 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.652 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -59.73 -38.81 82.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.442 0.639 . . . . 0.0 109.602 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.71 -41.26 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.107 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.49 15.88 9.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.63 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 54.16 56.94 6.39 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.329 0.585 . . . . 0.0 111.229 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 87.4 mt -96.08 139.9 31.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 96.3 mttt -87.07 114.34 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.653 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.407 HD13 HG22 ' A' ' 91' ' ' VAL . 41.6 mt -86.0 113.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 111.117 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 37' ' ' ASN . 12.8 pt -123.09 106.75 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -97.46 118.79 34.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.25 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 m -90.18 -28.39 18.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.457 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 42.6 t -67.15 117.08 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.854 176.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -58.14 -35.96 72.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.993 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -62.76 -46.81 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.643 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.78 55.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -58.53 -46.27 87.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.605 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -72.99 -23.47 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.831 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 33.4 ttm -74.18 -41.65 61.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.18 -32.85 74.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.288 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -70.19 -23.67 63.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.87 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -73.69 -52.83 11.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.434 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -99.86 128.94 45.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.96 0.41 . . . . 0.0 110.443 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.21 -9.95 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.379 -172.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 m -79.55 1.34 26.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.695 0.283 . . . . 0.0 111.682 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 66.4 m-85 -105.43 -14.49 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -70.62 -0.4 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -76.86 -47.35 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 110.224 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.489 HG21 HG11 ' A' ' 61' ' ' VAL . 6.4 m -99.38 -26.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.224 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -82.5 129.28 34.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.97 91.72 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.236 0.541 . . . . 0.0 110.889 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.48 136.92 50.19 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.453 174.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.6 tp -100.43 -14.91 18.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 -174.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.81 87.78 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.194 0.521 . . . . 0.0 111.614 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -67.09 121.17 15.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -80.13 49.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.783 -171.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 62.98 -79.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.016 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 178.01 26.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -139.85 156.04 46.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.736 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.028 -0.986 . . . . 0.0 109.571 174.373 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.68 0.276 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -72.53 130.1 39.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -134.84 -28.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.596 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.37 86.42 7.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -103.83 151.33 23.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.704 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.659 HD11 ' HG3' ' A' ' 55' ' ' LYS . 65.7 mt -96.47 108.23 20.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.989 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.11 135.16 33.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.07 140.05 32.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.904 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -151.89 5.52 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.109 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.39 89.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.989 0.515 . . . . 0.0 111.506 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m120 55.11 26.55 8.34 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.506 0.504 . . . . 0.0 110.921 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 27' ' ' THR . 19.7 ptpt -136.83 153.61 50.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.569 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 69.1 m-85 -122.84 117.62 26.04 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -127.76 134.19 49.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.457 0.646 . . . . 0.0 112.253 -174.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.5 125.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.94 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . -177.78 172.13 44.75 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.153 -1.022 . . . . 0.0 112.305 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.51 -26.48 55.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.626 0.727 . . . . 0.0 110.099 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.46 162.0 40.49 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.94 -33.84 72.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.109 0.481 . . . . 0.0 110.182 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -80.84 -21.77 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.985 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.24 35.61 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.413 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -71.45 113.47 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.112 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.53 -5.41 54.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.945 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.2 109.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.97 152.73 52.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.078 0.466 . . . . 0.0 111.443 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.31 131.71 58.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.24 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 12' ' ' LYS . 73.6 p -121.08 138.55 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -138.58 127.95 24.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.975 0.416 . . . . 0.0 110.095 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -113.28 145.93 40.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.67 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.74 ' HB3' ' HA ' ' A' ' 33' ' ' ASN . 76.4 m-85 -80.44 102.92 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.417 -176.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.6 m -85.52 -26.16 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 0.0 110.519 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 28.9 t70 -134.8 8.69 3.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.266 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.74 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 4.6 m-20 72.62 -56.06 0.66 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.76 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.04 -36.19 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 109.664 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.603 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 44.2 mt-10 -93.73 121.04 34.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 174.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.539 HD11 HG12 ' A' ' 71' ' ' ILE . 38.1 pt -110.67 138.97 36.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.706 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -114.4 119.03 35.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.88 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.98 101.92 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.67 -58.68 2.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.183 -168.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.584 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 81.2 t60 -127.48 141.45 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.363 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -147.76 102.64 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.83 106.52 2.18 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.5 126.59 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.551 0.215 . . . . 0.0 110.989 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . 4.6 p -64.96 133.46 51.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.548 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.96 28.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.439 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' HG2' ' HB2' ' A' ' 44' ' ' SER . 25.5 mm-40 -54.02 -61.36 2.35 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 87.6 mt -83.24 -35.53 25.31 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.59 -104.66 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.571 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.06 -23.79 62.18 Favored Glycine 0 N--CA 1.452 -0.296 0 O-C-N 123.875 0.397 . . . . 0.0 112.982 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 47' ' ' LEU . 52.9 mt-30 -64.79 -26.64 68.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.456 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.79 70.11 0.55 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.495 -0.859 . . . . 0.0 114.499 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.525 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 27.9 t -83.36 -45.98 18.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 169.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.55 -25.35 68.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.11 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 16.2 tppt? -58.59 -36.67 74.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.319 176.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.659 ' HG3' HD11 ' A' ' 6' ' ' ILE . 41.3 tptt -71.1 -57.32 4.63 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.383 0.611 . . . . 0.0 110.21 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.02 -47.9 84.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.47 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.24 -25.08 61.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.017 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 24.1 ttpp -58.4 -51.49 69.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.37 75.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.992 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.28 -49.47 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.8 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -42.36 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 60.6 mt-10 -61.23 -47.24 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.919 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -70.38 -31.72 69.07 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 69' ' ' LEU . . . -61.08 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.165 175.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.48 -36.71 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.292 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.9 mt-10 -57.98 -39.64 78.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.187 0.518 . . . . 0.0 111.029 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.545 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 31.0 m-80 -110.78 10.86 22.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.858 -173.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 54.56 43.0 30.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.171 0.51 . . . . 0.0 110.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 79.4 mt -83.58 142.38 30.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.24 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.02 120.46 32.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.539 HG12 HD11 ' A' ' 36' ' ' ILE . 36.4 mt -94.06 120.09 42.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.267 0.556 . . . . 0.0 112.009 -174.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -126.64 159.01 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.672 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 136.75 37.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.5 m -90.22 -31.28 17.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.439 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 98.5 m -75.34 123.63 25.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.059 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -57.18 -38.79 74.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.231 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.84 -47.7 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.079 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -78.9 -41.42 29.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.082 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.46 -51.3 70.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.623 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 9.8 t60 -72.6 -19.05 61.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.776 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -70.47 -42.19 71.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 88' ' ' TYR . 46.5 mt -58.74 -38.51 78.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.626 177.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HG2' ' CE2' ' A' ' 92' ' ' TYR . 31.8 mt-10 -74.26 -22.4 59.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.25 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -80.14 -44.99 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -109.6 144.65 37.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.2 0.524 . . . . 0.0 111.816 -170.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.94 -36.42 74.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.674 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 p -57.05 -41.68 79.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.873 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 82' ' ' LEU . 20.9 m-85 -81.13 -31.14 34.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.51 -25.26 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.27 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.5 -37.35 67.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.09 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.69 11.1 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.95 0.405 . . . . 0.0 111.666 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 52.5 t80 -95.31 135.02 37.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.086 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.47 -71.32 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.155 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.97 -53.57 4.62 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.313 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.6 151.71 36.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 110.968 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -95.2 147.19 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -66.05 124.62 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -60.58 132.24 53.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.263 0.554 . . . . 0.0 111.071 -172.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 2.9 t-160 -88.53 -33.18 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.508 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 87.5 m-70 70.88 -74.26 0.09 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.81 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -94.45 -161.92 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.359 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.633 178.196 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.547 0.213 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -83.6 60.64 5.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.493 0.663 . . . . 0.0 110.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -101.16 1.15 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.989 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.549 ' HB3' HG23 ' A' ' 15' ' ' ILE . 92.7 mt -83.16 87.09 6.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.296 -179.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.41 146.27 29.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.553 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.489 HG12 HD11 ' A' ' 15' ' ' ILE . 58.4 mt -76.5 106.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.917 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -86.38 116.98 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.106 0.479 . . . . 0.0 110.61 -177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.621 ' HG2' ' HE1' ' A' ' 13' ' ' PHE . 27.8 mt-30 -73.15 121.39 20.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.728 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.0 -161.23 11.48 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.762 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.7 95.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 0.0 110.752 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.18 23.39 12.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.364 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.4 ptpt -140.21 160.45 39.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.345 0.593 . . . . 0.0 112.145 -173.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.621 ' HE1' ' HG2' ' A' ' 8' ' ' GLN . 36.0 m-85 -122.68 114.5 20.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.407 168.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.73 150.02 50.46 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.641 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 4' ' ' LEU . 47.6 mt -142.39 149.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.031 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.78 -178.65 39.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.79 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.19 -28.43 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 109.424 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -156.25 168.1 28.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.532 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.64 -28.5 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.231 0.539 . . . . 0.0 110.095 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.67 -34.72 67.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.384 0.611 . . . . 0.0 110.127 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -107.93 44.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.202 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 116.78 6.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.513 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 44' ' ' SER . 95.8 mt -88.25 -4.12 58.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.54 0.686 . . . . 0.0 109.717 176.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 15' ' ' ILE . . . -140.47 125.7 18.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.073 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -154.98 114.59 3.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 13.8 tt -144.15 134.97 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.687 0.279 . . . . 0.0 110.945 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 12' ' ' LYS . 39.7 p -123.09 139.51 54.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 16.2 p90 -125.12 100.16 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.367 0.603 . . . . 0.0 110.571 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -95.76 136.35 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -175.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -75.75 121.04 21.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.923 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 72' ' ' ILE . 15.6 m -103.11 -49.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.654 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 12.4 t70 -110.08 -82.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.439 -175.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -137.44 -46.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.732 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -130.07 0.43 4.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.388 0.613 . . . . 0.0 110.02 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.654 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 32.1 mp0 -81.28 107.55 14.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.325 -176.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 13.9 pt -90.27 110.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.478 0.656 . . . . 0.0 109.82 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HA ' HG13 ' A' ' 72' ' ' ILE . 34.2 t30 -87.28 112.25 21.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.478 -177.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.99 100.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 109.42 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 9.7 t70 -84.48 -58.6 2.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.467 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 14.0 t60 -108.99 133.87 52.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.376 -174.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.54 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 30.1 m -143.64 104.47 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.455 . . . . 0.0 110.442 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.16 106.1 1.09 Allowed Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.654 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.18 154.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.628 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 p -52.1 122.25 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.442 0.639 . . . . 0.0 111.67 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -98.84 10.95 40.2 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' OE1' ' HG ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -51.21 -66.05 0.45 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.998 178.068 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HG ' ' OE1' ' A' ' 46' ' ' GLU . 72.8 mt -131.18 18.68 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.88 174.41 21.44 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.115 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.6 54.55 4.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.183 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -65.28 103.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.36 0.264 . . . . 0.0 111.228 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.8 -44.15 2.26 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.221 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.5 t -57.15 -46.88 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 122.516 0.326 . . . . 0.0 111.486 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.94 97.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.72 -46.34 82.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.75 0.309 . . . . 0.0 110.44 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 4' ' ' LEU . 64.9 tttp -58.49 -42.61 87.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.99 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 24' ' ' ALA . 95.8 mt -67.18 -54.28 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.983 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD21 ' HE1' ' A' ' 81' ' ' MET . 24.0 tp -65.73 -41.78 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.145 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -61.91 -38.78 89.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.682 0.277 . . . . 0.0 110.518 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.87 99.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.49 -49.55 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.59 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.485 HG12 HG11 ' A' ' 91' ' ' VAL . 99.3 t -58.41 -37.96 66.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.159 0.504 . . . . 0.0 111.017 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.23 -55.03 38.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -71.66 -27.48 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.725 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.82 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.11 -35.49 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.657 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.68 -45.2 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.05 8.24 40.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.452 -176.367 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 59.2 39.19 23.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.772 0.796 . . . . 0.0 110.344 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.15 157.76 21.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.429 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' HD2' HD12 ' A' ' 93' ' ' LEU . 72.1 mmtt -113.46 135.36 53.96 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.96 125.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 112.062 -172.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.491 HD11 HG21 ' A' ' 31' ' ' VAL . 31.5 pt -130.53 161.5 40.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.622 171.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.61 137.61 42.09 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.737 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -104.82 -16.97 14.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.439 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.54 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 50.6 t -76.57 127.92 33.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.885 175.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -62.42 -41.21 98.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.33 -53.03 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.757 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.72 96.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.9 ttmt -59.23 -50.64 73.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -68.98 -26.29 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.12 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.522 ' HE1' HD21 ' A' ' 57' ' ' LEU . 35.5 ttp -72.06 -37.62 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 109.977 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 57' ' ' LEU . 79.4 mt -69.51 -39.87 77.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.671 175.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 43.8 mt-10 -68.34 -28.28 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 85' ' ' GLU . 2.4 tmtt? -64.28 -60.61 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.137 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 5.0 tp10 -84.81 134.19 34.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.56 -172.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.49 -37.52 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.816 -173.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -68.07 -28.15 67.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 23.8 m-85 -76.86 -13.07 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.521 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -77.63 1.48 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.12 -49.1 11.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 110.152 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 61' ' ' VAL . 23.1 m -83.9 -20.18 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.106 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -91.34 110.34 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.146 0.498 . . . . 0.0 109.803 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 70' ' ' LYS . 6.2 mp -71.13 -42.61 68.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.153 -176.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.52 21.22 78.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.399 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 93' ' ' LEU . 93.4 mt -80.64 67.38 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.438 0.637 . . . . 0.0 110.24 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.29 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.596 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -101.75 140.97 35.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.18 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -80.75 130.92 35.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -78.91 -76.05 0.21 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.826 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -83.28 121.98 27.83 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -154.41 178.42 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.792 0.33 . . . . 0.0 110.348 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.575 178.75 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -81.74 110.48 17.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.99 0.424 . . . . 0.0 110.21 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -78.67 99.0 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.657 0.742 . . . . 0.0 110.556 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.2 mt -84.64 72.1 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.521 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -102.84 129.79 49.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.709 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.652 HD12 ' HG2' ' A' ' 55' ' ' LYS . 64.7 mt -62.07 113.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.948 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HA ' ' HZ3' ' A' ' 7' ' ' LYS . 1.2 mmpm? -89.43 112.73 23.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -86.45 120.09 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.501 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.17 173.14 14.56 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.02 101.52 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.634 0.217 . . . . 0.0 110.918 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 m-20 65.68 20.31 11.53 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.545 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HB3' HG23 ' A' ' 27' ' ' THR . 52.0 pttt -143.36 117.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.146 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -101.25 111.59 23.85 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -125.81 147.16 49.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.962 0.411 . . . . 0.0 110.625 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.501 HD12 HG13 ' A' ' 52' ' ' VAL . 50.9 mt -125.77 121.78 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.423 0.63 . . . . 0.0 110.308 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.35 -176.42 42.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.726 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.44 -25.65 25.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.06 0.43 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 12.8 t70 -142.33 145.06 33.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.46 -32.06 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.288 . . . . 0.0 110.994 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -67.04 -34.84 78.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 18' ' ' ASP . 5.0 p30 -123.52 45.23 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.374 0.607 . . . . 0.0 110.734 -176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.48 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.464 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.61 -26.86 41.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.054 0.454 . . . . 0.0 110.525 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.68 130.46 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.293 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.54 144.27 34.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 111.101 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 60' ' ' VAL . 10.5 tt -131.31 125.58 57.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.876 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 12' ' ' LYS . 16.2 p -115.26 139.13 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.99 0.424 . . . . 0.0 111.777 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 11' ' ' ASN . 37.2 p90 -124.47 125.53 44.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.154 178.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -109.4 132.33 54.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.935 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -78.3 100.29 6.66 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.01 -40.85 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.53 -84.18 0.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.591 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.22 -90.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.331 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -107.73 18.16 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 108.536 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 38.2 mt-10 -89.5 116.1 27.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.622 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.52 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 22.9 pt -102.9 123.93 56.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.586 -173.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 t-20 -93.81 111.84 23.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.16 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' THR . 70.2 mt -74.72 95.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 171.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.716 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 32.3 t70 -85.48 -29.63 24.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.71 -171.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 78.1 t60 -142.61 134.26 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.442 0.639 . . . . 0.0 111.485 -178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 25.6 m -144.9 105.04 4.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.889 171.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.52 138.24 13.16 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.114 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.94 121.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 m -63.35 127.13 29.88 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -94.88 60.58 2.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.646 0.736 . . . . 0.0 111.631 -171.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -115.25 36.64 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt 68.06 77.89 0.24 Allowed 'General case' 0 C--O 1.23 0.066 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.98 60.79 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.715 -173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' HA3' HG22 ' A' ' 52' ' ' VAL . . . 75.92 -11.95 9.98 Favored Glycine 0 CA--C 1.518 0.274 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.913 172.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 69.75 -74.08 0.09 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.082 0.553 . . . . 0.0 111.432 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.46 -4.58 87.38 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.987 -175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG13 HD12 ' A' ' 15' ' ' ILE . 69.9 t -56.51 -59.72 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.563 0.221 . . . . 0.0 111.463 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.57 -38.6 96.65 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.359 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.81 -41.9 97.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.652 ' HG2' HD12 ' A' ' 6' ' ' ILE . 38.7 ttpt -71.35 -33.99 70.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 60' ' ' VAL . 80.4 mt -62.25 -52.36 64.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.986 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.44 -38.33 86.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.894 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -56.9 -46.15 82.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.185 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.92 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.426 HG21 HD12 ' A' ' 26' ' ' ILE . 68.6 t -61.94 -52.2 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.85 -40.18 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.5 -47.09 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.77 -30.36 70.56 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.098 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -50.53 64.83 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.41 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -61.53 -38.57 87.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.644 0.259 . . . . 0.0 110.416 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.61 -45.51 66.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.573 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.58 6.54 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.506 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 52.82 65.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.69 0.757 . . . . 0.0 110.117 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.87 150.98 19.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.051 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 50.2 mtpt -101.94 115.75 31.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.06 131.87 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.0 111.996 -173.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 20.4 pt -134.37 144.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.026 170.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.62 142.4 50.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.288 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.716 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 16.4 p -103.86 -38.23 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 11.8 m -62.93 119.54 9.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.219 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -57.27 -42.14 81.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.602 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.527 ' O ' ' HG3' ' A' ' 81' ' ' MET . 83.7 t80 -57.58 -56.53 20.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.789 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' A' ' 41' ' ' THR . . . -66.45 -35.19 79.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -57.66 -50.34 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.812 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 80.5 m-70 -71.17 -15.64 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -177.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 93.3 mtp -72.36 -44.44 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 175.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.93 -39.58 61.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.339 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 40.5 tt0 -64.35 -28.9 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -71.02 -43.68 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.392 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -92.03 127.84 37.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.301 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.9 -38.28 81.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.479 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 t -71.19 -24.94 62.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.831 0.348 . . . . 0.0 111.61 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -84.93 -14.61 47.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.685 0.279 . . . . 0.0 111.082 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.65 3.21 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.85 -41.12 16.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.4 -26.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.67 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -82.99 139.33 33.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 70' ' ' LYS . 10.3 mp -81.93 76.96 8.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.259 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.02 -143.49 14.98 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.82 41.52 17.96 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.547 0.689 . . . . 0.0 109.383 -175.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.8 -2.91 22.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.369 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.16 91.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 165.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -70.23 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.687 -168.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -75.08 -15.63 60.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.933 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.1 m80 67.15 52.85 0.83 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -165.41 -47.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.39 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.613 -1.184 . . . . 0.0 108.605 -167.045 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m 69.71 -72.66 0.1 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.167 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -118.46 -35.15 3.83 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.913 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -103.81 90.72 3.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.952 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.93 -177.71 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.091 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -86.36 95.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.07 156.84 26.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.42 146.73 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.481 0.658 . . . . 0.0 111.744 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.24 -174.1 13.22 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -69.88 105.33 2.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.242 0.521 . . . . 0.0 110.659 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 11' ' ' ASN . 6.3 m120 63.1 30.19 16.16 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.683 0.614 . . . . 0.0 111.375 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG23 ' A' ' 27' ' ' THR . 56.4 pttt -159.25 165.27 33.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 112.04 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -131.01 149.38 52.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 32.9 p90 -151.22 142.63 23.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.245 0.545 . . . . 0.0 111.229 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.725 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 55.5 mt -110.95 123.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.266 174.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.76 173.86 36.21 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.95 -48.66 73.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.7 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.08 -175.38 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.591 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -67.78 -18.28 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.833 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -132.1 60.04 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.85 92.85 8.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.55 -13.86 50.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 0.0 110.32 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -132.3 97.9 4.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.771 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -113.83 135.59 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.897 -173.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' A' ' 56' ' ' LEU . 14.5 tt -151.4 127.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.962 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.84 ' HG1' ' HB3' ' A' ' 39' ' ' ASP . 21.6 p -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.477 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 36.3 p90 -146.71 138.1 24.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -142.24 149.72 39.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.009 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -76.45 118.96 19.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.67 -41.06 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -161.52 98.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 t30 67.65 -76.2 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.879 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.575 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 22.2 t-20 -116.67 -23.46 8.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 111.38 -172.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.667 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 23.0 mp0 -75.69 121.48 22.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.3 pt -112.29 128.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.894 175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.621 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.7 p-10 -101.46 135.95 42.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.912 0.387 . . . . 0.0 110.504 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 38' ' ' ILE . 2.5 mp -83.36 109.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.84 ' HB3' ' HG1' ' A' ' 27' ' ' THR . 13.5 t70 -68.53 -57.81 5.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.249 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -151.48 151.16 31.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.421 . . . . 0.0 111.01 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -116.1 110.74 19.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.919 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.96 81.31 0.3 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.341 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -93.24 125.54 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.9 p -67.06 150.33 49.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 0.0 111.084 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.96 -16.98 48.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.689 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.27 -22.03 25.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.622 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 tp -143.17 70.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.315 0.579 . . . . 0.0 111.104 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 -77.9 1.32 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.54 -100.38 0.67 Allowed Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.874 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -93.18 -171.07 2.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.54 60.25 3.67 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.594 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.11 -39.09 82.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.078 0.466 . . . . 0.0 109.953 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.66 87.83 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 87.5 tttt -67.78 -36.58 80.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.304 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -74.0 -30.08 62.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.73 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.55 HD23 HG13 ' A' ' 15' ' ' ILE . 59.6 mt -64.68 -50.85 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.156 0.503 . . . . 0.0 109.787 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.485 HD22 ' HE3' ' A' ' 81' ' ' MET . 38.5 tp -64.34 -31.89 73.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.342 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -54.74 -48.56 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.28 98.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.83 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.34 -47.56 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.575 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.425 HG13 HG21 ' A' ' 91' ' ' VAL . 64.5 t -62.48 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.459 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.02 -42.95 89.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -72.89 -24.85 60.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.096 0.474 . . . . 0.0 110.462 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.23 53.26 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 175.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.71 -42.43 93.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -50.08 -47.91 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.632 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -107.23 7.25 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.907 -174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.55 61.7 2.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.329 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -107.2 158.05 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.667 ' HB2' ' HA ' ' A' ' 35' ' ' GLU . 30.2 mmtp -92.4 116.59 29.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.929 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 91' ' ' VAL . 20.8 mt -92.19 112.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.298 178.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 5.3 pt -125.97 119.18 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.085 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.31 122.97 35.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.086 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.2 m -74.78 -37.46 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.511 . . . . 0.0 109.665 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.9 p -79.22 131.69 36.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.585 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 p -67.58 -29.62 69.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.028 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.44 -48.58 80.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.998 0.428 . . . . 0.0 110.627 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.44 85.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 36.0 ttmt -64.38 -38.88 92.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.63 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.482 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.485 ' HE3' HD22 ' A' ' 57' ' ' LEU . 35.0 ttp -73.69 -31.29 63.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.577 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.76 -36.83 83.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.753 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.3 mt-10 -82.12 -16.28 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.635 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -39.64 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.898 -173.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.77 169.61 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.981 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.19 -24.4 27.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.249 -169.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 t -66.41 -4.36 8.01 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.142 -175.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' OH ' ' HG3' ' A' ' 54' ' ' LYS . 35.3 m-85 -96.78 -7.39 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.278 -0.264 . . . . 0.0 111.599 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.2 tt0 -69.48 -15.32 63.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.75 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -35.41 72.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 177.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.446 HG21 HD12 ' A' ' 71' ' ' ILE . 18.9 m -118.91 4.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.234 0.54 . . . . 0.0 111.153 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.47 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 52.0 t80 -104.57 139.49 39.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.496 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.07 -41.06 91.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.28 -149.49 27.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.201 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.77 125.31 44.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -72.22 74.56 0.97 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.421 . . . . 0.0 110.619 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -145.83 -69.89 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.884 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -80.25 68.59 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 111.253 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -147.85 11.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.347 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.0 m170 56.08 -103.23 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.369 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -148.47 27.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.456 -179.234 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.623 0.249 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.52 ' HG ' ' HB3' ' A' ' 5' ' ' GLU . 15.0 t -78.99 105.19 10.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -107.08 102.96 12.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.311 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' HB3' ' HE3' ' A' ' 55' ' ' LYS . 89.9 mt 59.03 26.04 14.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.52 ' HB3' ' HG ' ' A' ' 2' ' ' SER . 5.6 tp10 -86.62 143.19 27.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.17 0.51 . . . . 0.0 111.244 -176.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -92.16 108.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -91.87 146.11 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.888 0.375 . . . . 0.0 110.158 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.73 128.88 47.85 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.385 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.02 -164.77 12.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 173.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.78 99.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.261 0.531 . . . . 0.0 110.776 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m120 60.36 16.8 6.56 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.374 0.421 . . . . 0.0 111.847 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' HB3' HG21 ' A' ' 27' ' ' THR . 7.5 ptpp? -129.19 139.37 51.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.959 0.409 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.27 114.86 27.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -121.32 127.79 51.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.667 0.746 . . . . 0.0 111.309 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 56' ' ' LEU . 49.9 mt -93.11 128.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.689 175.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.17 -146.08 13.07 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.16 -35.8 0.93 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.193 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.4 t70 -122.77 168.58 12.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.78 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.036 0.446 . . . . 0.0 109.838 176.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.24 -33.2 24.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.436 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 93.6 m-20 -88.52 37.04 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.534 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.32 109.48 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.618 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.06 -21.39 29.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.247 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.691 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.2 106.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.46 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.26 0.552 . . . . 0.0 110.346 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 17.3 tt -122.27 124.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.788 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.663 ' HG1' ' HB2' ' A' ' 39' ' ' ASP . 40.5 p -108.32 139.87 42.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 34.9 p90 -129.35 127.31 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 7.2 tpt180 -114.55 168.12 10.14 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' H ' ' HG3' ' A' ' 29' ' ' ARG . 94.4 m-85 -100.23 111.06 23.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.662 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -87.25 -23.01 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.77 0.795 . . . . 0.0 108.883 171.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.691 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.4 t70 -140.36 164.7 29.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.094 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.96 -24.85 67.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.682 0.277 . . . . 0.0 110.947 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 14.6 m120 -127.31 17.79 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.542 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.886 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.5 mt-10 -135.38 122.18 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.07 150.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.571 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.8 p-10 -121.75 139.27 53.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.994 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -87.07 105.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.663 ' HB2' ' HG1' ' A' ' 27' ' ' THR . 26.9 m-20 -70.03 -65.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.657 -176.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.586 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 65.9 t60 -127.67 130.85 49.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.354 -173.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 m -121.7 97.69 5.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.465 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.691 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -106.95 98.88 1.36 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.221 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 24' ' ' ALA . 28.2 t -116.64 124.58 72.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -69.54 124.33 23.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.17 35.46 0.99 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -174.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.43 -32.85 58.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.34 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.51 5.6 51.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -178.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 35.19 91.67 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.864 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.91 119.25 4.59 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.561 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 pm0 -137.57 170.13 16.6 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -68.57 -14.98 67.93 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.023 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.447 HG11 HD12 ' A' ' 15' ' ' ILE . 53.6 t -49.19 -37.44 10.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 122.96 0.504 . . . . 0.0 111.785 178.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.41 91.03 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.801 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -76.4 -25.57 54.68 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.656 -0.32 . . . . 0.0 111.037 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 4' ' ' LEU . 6.6 mtpm? -58.55 -46.19 87.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 15' ' ' ILE . 97.5 mt -60.98 -49.25 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.838 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.1 -44.1 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.623 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -57.37 -42.87 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.435 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.71 88.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.83 -48.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' HD11 ' A' ' 71' ' ' ILE . 98.3 t -62.54 -38.93 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.35 -48.36 80.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.199 0.523 . . . . 0.0 109.979 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -69.02 -26.61 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -54.26 19.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -62.41 -35.19 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 109.829 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -53.35 -47.69 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.957 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -106.2 9.13 32.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.417 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 59.36 69.9 0.68 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 110.158 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 64.3 mt -121.35 139.5 53.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.533 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.886 ' HD3' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -85.87 145.53 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 174.537 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 61' ' ' VAL . 68.3 mt -113.78 120.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.321 0.582 . . . . 0.0 112.373 -174.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -127.23 149.66 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.063 168.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.81 135.28 50.81 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.124 -0.36 . . . . 0.0 111.221 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -85.08 -42.83 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.412 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 87.0 m -63.59 125.17 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -59.17 -38.13 79.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.371 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.61 -40.43 94.79 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.033 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.26 -41.95 16.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -58.79 -49.93 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.542 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -16.3 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.12 -40.03 71.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -77.38 -23.85 50.67 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.83 0.347 . . . . 0.0 110.597 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -63.17 -39.74 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.518 . . . . 0.0 109.803 173.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -79.26 -48.9 13.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.59 97.37 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.61 -19.26 65.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.456 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.6 m -66.08 -23.47 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.8 8.5 41.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.546 HE21 ' HA ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -65.92 -25.09 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 110.572 -178.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -48.32 73.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.472 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 m -85.14 -21.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.59 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -78.59 141.99 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.182 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.38 99.06 9.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.231 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.37 150.7 35.45 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.89 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.0 -23.92 38.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.371 . . . . 0.0 110.426 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -90.85 141.63 28.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.528 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -79.28 116.93 19.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.43 -7.56 58.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.431 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.5 m170 70.17 3.31 4.34 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.221 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -177.56 109.39 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -89.61 66.17 7.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.952 0.406 . . . . 0.0 110.381 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.194 178.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.559 0.219 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 63.69 105.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.473 0.654 . . . . 0.0 112.019 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.464 ' O ' HG21 ' A' ' 15' ' ' ILE . 39.4 m-80 -77.51 111.81 13.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.63 -16.28 34.91 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -87.89 141.24 28.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.636 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.19 109.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -79.44 115.8 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.842 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -90.86 122.82 33.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.73 -165.6 11.8 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.059 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.2 mp0 -60.22 95.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.704 0.402 . . . . 0.0 110.762 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 57.12 23.08 8.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.845 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' HG22 ' A' ' 27' ' ' THR . 25.2 pttm -142.64 144.4 32.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.295 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -113.74 128.36 56.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -142.12 156.13 45.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.704 -175.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 HD22 ' A' ' 56' ' ' LEU . 57.6 mt -129.8 128.16 64.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.621 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.93 -170.31 42.07 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.683 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.92 -30.01 21.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.142 0.496 . . . . 0.0 110.279 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -160.97 161.05 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -15.36 63.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.421 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -73.44 -15.7 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 110.536 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -161.88 78.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.549 . . . . 0.0 110.015 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.53 149.99 28.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.106 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.88 -24.47 38.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB3' HG23 ' A' ' 43' ' ' VAL . . . -163.07 126.81 2.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.225 177.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -128.59 127.34 42.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.289 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.92 125.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.908 ' HG1' ' HB3' ' A' ' 39' ' ' ASP . 59.0 p -109.29 137.46 47.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.707 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.15 147.21 45.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG3' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -154.05 150.29 28.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -82.67 121.02 26.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.502 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 m -85.79 -41.93 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.636 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -144.73 -83.4 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.564 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' HD21 ' A' ' 33' ' ' ASN . 0.2 OUTLIER -105.39 -80.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.529 -171.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.85 4.6 14.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.434 0.635 . . . . 0.0 109.467 -177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -89.82 117.53 28.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.415 -173.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.35 124.71 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.738 174.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' OD1' ' HG3' ' A' ' 29' ' ' ARG . 2.3 p-10 -102.37 135.14 44.51 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.335 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.22 96.56 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.908 ' HB3' ' HG1' ' A' ' 27' ' ' THR . 23.2 t70 -53.78 -57.9 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.308 -174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.533 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 37.8 p-80 -150.45 146.26 26.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.855 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.485 HG23 HG22 ' A' ' 43' ' ' VAL . 3.1 m -112.98 85.61 2.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -76.97 82.8 1.08 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.023 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG22 HG23 ' A' ' 41' ' ' THR . 61.0 t -109.25 132.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -89.41 134.94 33.86 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -97.46 14.56 25.97 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.471 -174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.514 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -162.71 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.674 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.13 178.26 26.77 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.386 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.33 -47.54 2.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.383 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.88 -64.79 0.7 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 111.654 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.62 -29.56 4.66 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.78 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.484 HG11 HD11 ' A' ' 15' ' ' ILE . 48.5 t -65.07 -37.32 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.772 -0.214 . . . . 0.0 111.398 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.37 43.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.561 -176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.81 -23.09 61.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.313 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -65.4 -51.85 57.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.094 0.474 . . . . 0.0 110.265 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.515 HD22 HG13 ' A' ' 15' ' ' ILE . 97.3 mt -66.6 -38.63 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.202 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' HG21 ' A' ' 61' ' ' VAL . 56.9 tp -63.07 -42.32 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.559 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -57.36 -47.14 82.41 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.861 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.01 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.57 -44.32 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.395 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.0 t -62.95 -40.6 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.74 -45.05 95.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.652 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -65.67 -37.18 85.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.312 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.95 77.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' HA ' HG12 ' A' ' 91' ' ' VAL . 45.7 ttp85 -60.93 -44.7 96.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 0.0 110.416 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.35 -46.41 86.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.697 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.14 3.24 55.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.512 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 58.73 70.37 0.66 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.841 0.829 . . . . 0.0 110.339 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -121.56 174.64 6.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.91 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HD3' HD22 ' A' ' 93' ' ' LEU . 55.9 mttp -124.05 130.05 51.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 61' ' ' VAL . 59.0 mt -95.55 127.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.954 -176.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 37' ' ' ASN . 11.9 pt -120.39 132.51 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.722 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.08 115.61 27.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.388 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 m -88.67 -25.48 22.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 47.5 t -91.67 139.23 30.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.554 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 m -68.01 -31.03 70.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.311 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -64.67 -51.01 64.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.915 0.388 . . . . 0.0 110.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HE1' ' A' ' 81' ' ' MET . . . -64.13 -36.71 84.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.68 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -56.51 -51.43 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.689 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -69.02 -16.05 63.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.428 ' HE1' ' HA ' ' A' ' 78' ' ' ALA . 74.4 mtm -84.91 -49.49 8.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.062 0.458 . . . . 0.0 110.252 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 57' ' ' LEU . 90.3 mt -73.53 -39.24 64.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.722 -175.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -67.38 -29.65 69.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.927 0.394 . . . . 0.0 111.627 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -97.94 -32.98 11.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.46 124.62 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.997 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.19 -16.11 61.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.607 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -63.51 -29.61 70.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.41 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -106.12 -8.39 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.684 0.278 . . . . 0.0 111.431 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.496 ' HG2' ' HD2' ' A' ' 92' ' ' TYR . 36.3 mt-30 -82.48 74.97 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.535 0.683 . . . . 0.0 112.235 -174.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -141.9 -45.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.173 170.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 65' ' ' ARG . 29.6 m -97.02 4.9 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.161 174.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.496 ' HD2' ' HG2' ' A' ' 89' ' ' GLN . 59.9 t80 -102.03 138.5 38.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.913 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.777 HD22 ' HD3' ' A' ' 70' ' ' LYS . 86.8 mt -82.27 88.58 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.215 0.531 . . . . 0.0 110.942 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.94 -99.93 0.16 Allowed Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mp 57.38 67.81 0.93 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 122.702 0.401 . . . . 0.0 111.291 174.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.27 94.62 7.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.071 0.463 . . . . 0.0 109.8 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.06 99.94 11.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 172.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.69 125.88 28.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.292 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -101.83 168.68 9.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.723 174.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -77.46 83.38 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.408 0.623 . . . . 0.0 111.198 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -129.06 -64.99 0.89 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.647 177.163 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' H2 ' ' CG ' ' A' ' 17' ' ' ASP . 18.6 ptm . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 121.018 0.437 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' A' ' 17' ' ' ASP . 9.0 t -166.94 -171.22 1.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -92.43 135.87 33.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.329 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.0 tp -79.39 11.43 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.59 0.709 . . . . 0.0 110.311 177.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -84.98 155.3 21.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.509 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 66.3 mt -70.62 115.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.177 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -93.2 125.02 37.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.56 176.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -81.66 145.53 30.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.385 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.4 -166.78 13.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.512 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -64.94 99.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.76 0.28 . . . . 0.0 111.223 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.56 21.88 12.45 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.293 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HB3' HG21 ' A' ' 27' ' ' THR . 20.4 ptmt -145.87 150.93 37.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.173 0.511 . . . . 0.0 111.393 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 51.6 m-85 -122.59 119.09 29.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 171.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -128.76 131.78 47.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.681 0.753 . . . . 0.0 111.843 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 HD23 ' A' ' 56' ' ' LEU . 71.8 mt -99.73 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.547 171.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.57 135.47 7.87 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 119.988 -1.101 . . . . 0.0 112.849 -176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.496 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 32.9 t70 -69.49 -32.13 70.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.993 0.901 . . . . 0.0 108.583 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.2 t70 -138.88 157.6 45.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.385 -1.279 . . . . 0.0 107.568 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.63 -20.38 58.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.232 0.469 . . . . 0.0 111.557 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -87.59 -21.35 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.307 0.575 . . . . 0.0 109.701 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 9.2 m120 -115.05 46.25 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.169 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.52 100.47 0.67 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.528 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.15 -55.86 28.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -127.04 112.2 14.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -125.92 134.9 51.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.497 HD13 HG21 ' A' ' 60' ' ' VAL . 17.0 tt -121.88 132.72 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.215 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.423 HG21 ' HB3' ' A' ' 12' ' ' LYS . 68.7 p -118.38 141.12 48.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.613 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -143.93 149.38 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -126.59 153.99 44.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -89.0 102.81 15.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.737 174.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -75.08 -31.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.1 168.25 20.17 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -80.84 57.11 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.754 0.311 . . . . 0.0 110.223 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.85 -24.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.595 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 57.8 mt-10 -112.55 132.66 55.0 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.959 0.409 . . . . 0.0 110.608 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.5 142.13 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.303 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 21.7 p-10 -114.43 138.26 50.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 0.0 110.445 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 107.65 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.34 -44.0 59.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.614 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.65 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 72.1 t60 -159.34 146.34 16.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.157 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 m -139.32 100.64 4.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.035 0.445 . . . . 0.0 110.02 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.34 95.97 1.15 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.495 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.81 98.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.943 0.402 . . . . 0.0 110.725 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -88.42 142.44 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -121.28 108.64 13.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.579 0.704 . . . . 0.0 111.393 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.11 2.07 14.79 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.853 174.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -101.58 -37.66 8.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.635 -172.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.5 0.87 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.688 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.29 96.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.434 -0.413 . . . . 0.0 113.027 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -84.9 3.87 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.267 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . 98.97 45.28 2.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.294 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.9 t -75.07 -46.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.363 0.601 . . . . 0.0 109.853 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.23 -26.25 71.51 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.969 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.54 -37.22 82.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.543 0.211 . . . . 0.0 110.508 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 6' ' ' ILE . 7.5 mtpm? -60.22 -47.05 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD23 HG13 ' A' ' 15' ' ' ILE . 84.4 mt -57.15 -60.83 3.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.655 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.04 -33.03 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.573 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 26.1 ttpp -56.94 -57.15 13.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.496 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.05 82.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG21 HD13 ' A' ' 26' ' ' ILE . 93.7 t -63.01 -46.4 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.255 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 88' ' ' TYR . 81.9 t -67.51 -39.06 81.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.725 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 47.2 mt-10 -59.03 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.59 -32.22 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.87 82.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.16 -33.29 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.67 -51.77 52.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.268 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.567 ' HB3' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -93.99 4.78 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.78 -172.021 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 59.97 40.63 18.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.75 0.786 . . . . 0.0 110.135 -178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 67' ' ' ASN . 79.8 mt -84.45 136.29 33.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.552 -178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.763 ' HD2' HD12 ' A' ' 93' ' ' LEU . 48.5 mtmt -90.85 121.99 33.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.57 175.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.3 mt -91.83 114.75 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.877 -173.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 32.8 pt -115.03 160.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.78 137.29 51.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.265 -0.574 . . . . 0.0 112.052 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -91.8 -51.87 5.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 51.4 m -69.05 121.89 17.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 t -62.09 -28.74 69.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.126 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -58.32 -56.17 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.456 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.41 74.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.974 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.15 -35.45 80.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.065 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -68.99 -35.2 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.72 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.5 mtp -67.78 -45.92 73.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.57 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.62 -31.11 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.885 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.89 -49.43 70.52 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.991 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -107.41 153.31 22.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.143 0.497 . . . . 0.0 110.956 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.03 -7.74 59.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.893 -170.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 p -66.96 -51.88 49.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.444 -174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CD1' HG21 ' A' ' 61' ' ' VAL . 14.6 m-85 -92.24 -7.81 47.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -174.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 tt0 -70.5 -15.95 62.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.509 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.42 -55.11 37.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.888 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.7 m -102.51 13.73 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.482 . . . . 0.0 111.172 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 21.7 t80 -84.39 127.23 33.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' A' ' 70' ' ' LYS . 74.8 mt -104.35 97.48 7.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.527 177.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.75 -49.95 0.66 Allowed Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.0 mp -128.47 166.13 19.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -103.71 -163.03 0.95 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 177.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.494 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 21.7 t60 -63.14 93.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 169.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -67.11 -25.56 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.182 -166.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -74.8 101.78 4.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -67.33 154.32 41.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.107 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 67.95 94.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.834 0.709 . . . . 0.0 109.631 -175.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 p80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.763 -174.307 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.731 0.301 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -77.97 160.37 28.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.66 12.84 28.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.588 -172.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt 61.71 57.5 2.21 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -172.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.593 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 37.1 mp0 -60.47 132.6 54.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.885 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' HG2' ' A' ' 55' ' ' LYS . 63.4 mt -75.39 108.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.118 173.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HE3' ' HB2' ' A' ' 5' ' ' GLU . 32.3 mmtp -86.48 132.66 33.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.401 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.72 139.82 56.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.61 29.9 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.67 94.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.237 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.42 HD21 ' NH2' ' A' ' 29' ' ' ARG . 74.4 m-20 60.89 22.87 12.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.344 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.75 127.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.477 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -98.96 137.64 37.22 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -139.78 130.55 25.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.366 0.603 . . . . 0.0 111.704 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.684 HG13 HD21 ' A' ' 56' ' ' LEU . 63.4 mt -92.33 112.56 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.487 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.65 162.87 26.27 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -82.15 -16.14 50.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.15 0.5 . . . . 0.0 110.398 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -158.47 163.11 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.21 -26.39 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 118.087 0.403 . . . . 0.0 110.61 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -78.49 -7.6 57.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.541 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -127.12 25.23 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.277 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.41 99.64 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.887 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.53 -15.05 56.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.556 -176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.616 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -153.7 104.55 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -117.03 139.39 50.75 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.595 176.028 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -129.95 131.09 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.38 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 25.4 p -100.63 139.72 35.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -132.53 55.5 1.88 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.854 0.835 . . . . 0.0 108.804 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' NH2' HD21 ' A' ' 11' ' ' ASN . 3.7 mtp85 -77.11 154.93 32.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.203 -169.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 68.6 m-85 -83.43 112.05 19.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.922 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -83.68 -17.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.48 0.657 . . . . 0.0 109.233 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.6 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 6.6 t70 -150.46 -160.48 1.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.211 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -75.61 -41.64 53.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.933 0.333 . . . . 0.0 111.785 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -110.17 -25.95 9.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.738 0.78 . . . . 0.0 110.049 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 38.7 mp0 -84.42 102.69 12.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.242 -172.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.6 pt -97.42 143.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.435 173.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -128.21 139.36 52.5 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.518 -177.669 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.661 ' HA ' ' O ' ' A' ' 27' ' ' THR . 4.1 mp -87.6 91.02 3.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.647 171.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.959 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 11.1 p-10 -89.61 -10.22 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.13 -174.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.518 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 66.1 t60 -147.22 135.56 21.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.42 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 m -136.27 92.92 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.616 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -102.93 62.8 0.45 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.618 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 24' ' ' ALA . 98.7 t -102.8 118.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.669 0.271 . . . . 0.0 111.159 -175.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 m -71.34 135.17 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.815 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -129.75 -2.58 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.088 0.47 . . . . 0.0 111.066 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.45 -39.81 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.4 tp -68.46 -32.25 72.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.229 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.92 42.64 99.76 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.072 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.92 72.74 1.79 Allowed Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.931 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 54.45 48.92 19.48 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.017 0.527 . . . . 0.0 111.274 175.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.76 74.32 0.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.793 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.77 -46.8 95.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.932 0.396 . . . . 0.0 110.414 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.95 -32.31 73.31 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.891 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HZ2' ' CD ' ' A' ' 85' ' ' GLU . 51.6 tttp -67.28 -36.15 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.659 ' HG2' HD13 ' A' ' 6' ' ' ILE . 4.7 ttmp? -60.84 -48.3 82.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.344 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.684 HD21 HG13 ' A' ' 15' ' ' ILE . 78.5 mt -66.49 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.257 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.32 -36.74 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.53 -45.61 91.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.86 94.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.42 -51.9 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.445 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 89.0 t -61.39 -42.06 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 20.1 tt0 -64.25 -45.38 88.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.84 -176.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -72.84 -36.75 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.69 78.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.491 . . . . 0.0 110.213 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -62.68 -35.48 79.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.076 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.6 mt-10 -65.85 -53.01 45.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.746 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.528 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 10.3 m120 -85.25 2.69 42.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.082 -170.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.8 OUTLIER 65.45 37.31 6.22 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.228 0.537 . . . . 0.0 110.374 178.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -88.36 169.96 11.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HD2' ' HG3' ' A' ' 35' ' ' GLU . 86.7 mttt -113.18 130.75 56.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 61' ' ' VAL . 50.4 mt -106.69 120.68 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.345 0.593 . . . . 0.0 111.93 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.565 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.9 pt -123.07 161.2 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.942 170.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.8 129.62 40.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.081 0.467 . . . . 0.0 111.675 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.959 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 34.2 t -85.62 -44.81 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.088 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 65.8 m -66.47 122.11 16.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.259 175.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 t -61.73 -30.18 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.459 ' O ' ' HG3' ' A' ' 81' ' ' MET . 64.6 t80 -59.33 -58.17 9.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.96 85.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 79' ' ' LYS . 5.2 tmmm? -61.11 -40.74 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.875 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -75.42 -21.76 57.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.782 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 89.0 mtp -69.45 -34.69 74.78 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.33 -30.81 65.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.402 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.84 -37.68 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -57.28 -52.28 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.808 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 11.6 tt0 -114.75 117.19 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -168.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -74.26 0.62 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.048 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 t -82.75 -4.5 58.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.425 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 78.5 m-85 -102.59 9.07 39.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.438 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.505 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -77.52 2.0 17.68 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -67.18 -58.26 5.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.12 -3.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.315 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.505 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 64.3 t80 -83.66 114.13 21.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.31 -33.81 76.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 92' ' ' TYR . . . 81.97 155.45 15.47 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.334 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.43 -62.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -141.06 91.32 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.2 112.91 2.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 111.049 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.99 108.26 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 -177.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -127.73 -80.7 0.59 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' A' ' 101' ' ' HIS . 26.6 t-80 -178.46 -13.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.765 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 100' ' ' HIS . 96.6 m-70 75.34 -66.38 0.29 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.399 0.68 . . . . 0.0 110.113 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.246 0.902 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.113 0.482 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.15 120.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.89 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.42 124.39 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.724 0.297 . . . . 0.0 110.498 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -87.88 116.17 25.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.8 -168.33 13.56 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.26 94.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.447 0.299 . . . . 0.0 111.109 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 55.65 26.71 9.59 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.224 0.535 . . . . 0.0 111.144 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.01 141.15 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.355 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -120.05 124.77 46.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . 48.2 p90 -133.02 142.36 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.336 0.589 . . . . 0.0 111.932 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.31 119.18 59.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.523 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.94 -173.08 42.84 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 22.3 m-20 -74.48 -49.52 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.74 -164.39 2.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.17 -35.49 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -80.67 -39.13 27.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . 6.2 m-20 -88.1 31.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.253 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 92.66 4.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.54 -31.85 62.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.985 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -145.72 114.36 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 14' ' ' TYR . 1.1 pp20? -137.28 155.11 49.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.934 0.397 . . . . 0.0 111.116 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 60' ' ' VAL . 15.9 tt -139.72 141.95 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.657 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 39' ' ' ASP . 81.0 p -123.56 146.89 47.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.662 0.268 . . . . 0.0 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 31.9 p90 -144.74 138.1 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 37' ' ' ASN . 9.1 ptp180 -128.98 154.99 46.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -83.39 100.45 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.64 -38.86 46.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.772 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -125.45 -79.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.262 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.6 -86.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.495 0.188 . . . . 0.0 110.841 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -88.43 -1.18 57.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.246 0.546 . . . . 0.0 110.14 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -88.36 119.97 29.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 pt -117.68 146.56 21.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.822 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 26.5 p-10 -118.15 142.06 47.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.277 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.1 mt -75.49 98.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 12.1 t70 -66.16 -54.92 19.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.087 -172.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -144.03 143.5 31.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -129.07 90.16 2.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.921 0.391 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.78 71.88 2.7 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.664 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.591 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.4 t -112.49 119.2 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.685 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.985 0.422 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.32 58.48 Favored Glycine 0 C--O 1.225 -0.427 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.132 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -63.36 -37.8 88.68 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 117.071 0.436 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.9 -39.68 87.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.964 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.08 -46.31 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.661 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -57.23 -45.65 83.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.229 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -55.91 -48.77 75.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.894 0.378 . . . . 0.0 110.198 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.76 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.467 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 26' ' ' ILE . 99.3 t -64.38 -50.07 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.386 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 88' ' ' TYR . 96.5 t -63.54 -41.93 94.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 110.853 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.66 -48.24 82.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.128 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -64.23 -42.7 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.158 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.41 90.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.063 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -58.32 -47.14 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.498 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.12 -18.8 62.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -101.26 1.83 39.24 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.242 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -86.54 144.56 27.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -100.89 128.66 46.83 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.479 HD12 HG21 ' A' ' 91' ' ' VAL . 52.9 mt -104.01 118.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.473 0.654 . . . . 0.0 112.136 -174.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -116.66 175.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.92 131.83 26.01 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.173 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 m -89.89 -18.97 25.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.04 128.81 42.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.389 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 p -61.83 -33.55 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.513 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -55.18 -54.21 46.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.69 75.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.03 -43.94 91.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.459 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -78.03 -28.28 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.457 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 66.8 mtm -68.76 -45.99 69.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.732 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.39 -21.56 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.565 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.0 -43.06 88.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.043 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.98 -18.76 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.506 -177.396 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.28 92.74 6.9 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 -174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.05 -6.09 39.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 m -70.0 -20.59 63.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 61' ' ' VAL . 29.3 m-85 -109.91 25.37 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.74 -8.38 42.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.875 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.71 -53.0 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.19 0.519 . . . . 0.0 110.909 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 71' ' ' ILE . 27.8 m -102.42 -12.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.882 -172.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -87.24 125.8 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.555 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.566 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 13.6 tt0 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HG2' ' A' ' 55' ' ' LYS . 58.3 mt -82.82 125.7 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.109 0.481 . . . . 0.0 111.412 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HE3' ' OE2' ' A' ' 5' ' ' GLU . 22.0 mmtp -99.44 139.49 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 171.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -107.79 144.83 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.466 0.651 . . . . 0.0 112.004 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.84 -176.98 15.71 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.15 112.98 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.505 0.652 . . . . 0.0 110.415 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.7 m120 67.31 15.21 9.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.067 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB3' HG22 ' A' ' 27' ' ' THR . 18.5 ptpt -147.08 144.99 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.197 0.523 . . . . 0.0 111.995 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -125.16 128.0 47.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 28.6 p90 -133.55 129.23 36.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.406 0.622 . . . . 0.0 111.408 -175.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 56' ' ' LEU . 68.1 mt -89.64 116.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.36 174.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.66 173.46 35.78 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.65 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -76.97 -49.61 15.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.43 168.12 13.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.855 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.25 -30.6 69.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -87.35 10.91 15.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.664 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -149.86 68.64 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.406 0.622 . . . . 0.0 109.823 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.0 124.36 49.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.116 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.49 -23.22 21.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.344 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -145.98 102.49 3.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.604 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.7 120.66 38.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.91 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.9 135.34 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.5 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.546 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 62.0 p -117.44 157.06 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.87 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 40.9 p90 -152.69 141.98 21.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 110.327 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.518 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 51.6 ttp85 -128.32 150.83 49.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.95 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.58 98.77 10.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 72' ' ' ILE . 8.2 m -76.37 -38.94 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -151.82 78.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.17 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.453 1.096 . . . . 0.0 112.785 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 6.29 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.963 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -124.57 122.03 36.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.115 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 pt -118.17 133.29 65.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.146 0.498 . . . . 0.0 111.129 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.518 ' OD1' ' HB3' ' A' ' 29' ' ' ARG . 1.6 p-10 -100.38 143.94 29.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 75' ' ' CYS . 3.4 mp -112.6 106.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -96.06 -52.35 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.761 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.546 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 58.4 t60 -103.89 125.94 50.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.429 0.633 . . . . 0.0 111.176 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -144.5 101.51 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.132 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.69 99.97 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.664 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 59.4 t -119.49 127.52 75.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.4 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.109 0.48 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.7 -47.28 88.06 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.703 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 6' ' ' ILE . 40.8 ttmt -68.23 -45.83 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.937 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 15' ' ' ILE . 85.6 mt -66.24 -45.84 79.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.471 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -58.73 -49.2 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -59.53 -37.86 79.48 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.76 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.7 93.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 92.3 t -72.01 -39.92 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 57' ' ' LEU . 89.2 t -69.52 -35.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.58 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 44.6 tt0 -60.57 -49.69 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 15.1 t-80 -50.92 -45.3 60.37 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.583 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 -39.41 79.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -68.01 -41.32 82.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 -178.023 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -56.23 -53.36 58.07 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.096 0.474 . . . . 0.0 111.155 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 80.5 m-20 -101.08 10.25 41.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.398 -172.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.61 49.05 21.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.34 0.59 . . . . 0.0 111.227 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 76.3 mt -89.12 137.95 31.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.26 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.621 ' HD3' HD11 ' A' ' 93' ' ' LEU . 63.2 mttp -81.5 140.52 34.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.996 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.494 HG23 HD13 ' A' ' 38' ' ' ILE . 70.2 mt -111.93 126.35 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.262 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 31' ' ' VAL . 20.3 pt -123.41 129.58 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.784 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.32 134.61 50.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.935 0.397 . . . . 0.0 111.479 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.622 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 31.8 t -111.68 -5.49 14.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.598 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 4.6 p -97.23 117.11 30.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.43 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.0 t -57.84 -33.99 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.569 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.79 -51.69 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.546 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -75.53 -38.71 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.8 -42.98 72.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.546 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 25.5 m80 -65.55 -27.53 68.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.69 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.6 mtm -84.96 -28.81 25.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 93.2 mt -71.32 -41.59 69.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.78 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.96 -18.39 56.06 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 110.767 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 64.0 tttm -69.91 -46.27 65.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.594 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 30.3 tt0 -111.45 150.68 29.51 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.114 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -81.55 -10.75 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.869 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.409 ' H ' ' HG2' ' A' ' 85' ' ' GLU . 5.2 m -74.46 -7.52 53.26 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 21.6 m-85 -115.03 -13.85 11.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.626 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.98 -8.34 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -166.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.97 -44.38 63.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.79 -24.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.895 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -76.85 123.89 26.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.621 HD11 ' HD3' ' A' ' 70' ' ' LYS . 83.1 mt . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.99 96.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.52 128.75 33.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.108 0.48 . . . . 0.0 109.925 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -96.88 121.99 39.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.693 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.32 -179.13 17.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.78 115.57 13.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 117.343 0.571 . . . . 0.0 110.485 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 65.38 19.16 11.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.682 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 27' ' ' THR . 57.3 pttt -153.49 143.66 22.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.344 0.592 . . . . 0.0 112.216 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.7 127.83 53.94 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -134.09 140.17 46.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.203 0.525 . . . . 0.0 111.237 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 56' ' ' LEU . 69.5 mt -114.57 117.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.065 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.78 163.7 30.89 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -71.85 -40.59 68.91 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.897 0.379 . . . . 0.0 110.125 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -122.11 161.8 22.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.81 -27.54 62.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 110.604 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -77.52 -35.01 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.291 0.567 . . . . 0.0 109.95 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -105.75 49.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.956 0.884 . . . . 0.0 109.615 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.2 117.16 14.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.693 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.53 -33.85 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.15 131.1 10.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.73 142.19 50.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.041 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 38' ' ' ILE . 14.8 tt -124.6 128.37 73.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.5 p -109.25 138.82 45.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 12.1 p90 -145.3 141.84 28.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.415 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 29' ' ' ARG . 10.0 ptm85 -136.04 137.7 41.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -176.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.08 96.87 2.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.921 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 72' ' ' ILE . 30.2 m -81.86 -26.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -141.7 -159.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.841 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.83 -57.42 12.12 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.266 0.354 . . . . 0.0 111.951 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -127.99 5.66 5.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.39 120.19 30.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.367 . . . . 0.0 110.736 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 pt -108.81 135.25 48.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.099 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 23.2 t-20 -109.17 126.34 53.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.054 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.477 HD13 HD11 ' A' ' 26' ' ' ILE . 70.8 mt -96.39 102.37 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 3.9 p-10 -78.29 -34.91 48.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.813 -174.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 28.4 p-80 -155.14 153.3 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.36 0.6 . . . . 0.0 111.228 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 43' ' ' VAL . 7.7 m -128.74 96.41 4.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.003 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -79.08 81.41 1.42 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.05 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.482 HG23 HG22 ' A' ' 41' ' ' THR . 48.2 t -100.2 112.92 34.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.702 0.287 . . . . 0.0 110.452 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.318 -0.773 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.472 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.197 0.522 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.11 -24.38 75.91 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.036 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -69.83 -37.93 76.38 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -64.23 -37.75 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.195 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 15' ' ' ILE . 81.6 mt -65.23 -48.38 73.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.68 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.1 -44.22 87.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.835 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -56.78 -45.06 82.37 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.75 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.08 99.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.21 -48.82 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.578 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 88' ' ' TYR . 99.5 t -63.34 -41.96 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.057 0.455 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.8 tt0 -62.05 -45.18 94.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 19.9 t60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.48 -43.36 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.297 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -62.81 -35.94 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.775 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.1 mt-10 -60.07 -44.52 94.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.13 0.49 . . . . 0.0 110.468 176.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -102.32 14.5 31.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.365 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.0 m120 62.22 29.18 17.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.021 0.439 . . . . 0.0 111.407 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 64' ' ' ALA . 83.2 mt -78.47 156.23 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 3.6 mptp? -107.94 137.61 45.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.343 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.19 123.62 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 111.626 -172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.5 pt -125.5 136.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.014 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.81 123.83 24.16 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.235 -174.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 3.2 p -87.6 -22.57 24.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.228 0.537 . . . . 0.0 110.268 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.1 t -67.81 108.97 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.785 175.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 m -58.23 -35.81 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.668 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.1 -57.19 13.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.951 0.405 . . . . 0.0 110.861 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.4 84.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -58.0 -45.55 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.045 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -73.07 -17.54 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.135 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.6 mtm -81.6 -35.08 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.32 -34.58 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 109.573 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -70.58 -16.67 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -72.92 -59.63 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.07 145.42 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 111.833 -170.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.652 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 2.9 m-20 -75.3 -4.34 38.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.758 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.5 t -63.1 -23.38 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 0.0 110.036 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CD2' HG11 ' A' ' 61' ' ' VAL . 2.2 m-85 -112.1 9.08 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.366 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.652 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 6.3 tp60 -79.58 -19.14 50.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.218 -170.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.61 -17.61 25.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.814 -0.553 . . . . 0.0 111.313 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 61' ' ' VAL . 15.6 m -101.61 -38.15 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.07 142.51 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.074 0.464 . . . . 0.0 109.775 177.099 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.498 HD11 ' HG3' ' A' ' 55' ' ' LYS . 61.7 mt -83.56 106.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.244 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.08 117.0 18.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -96.09 141.9 28.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.258 0.551 . . . . 0.0 111.049 -175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.29 -171.28 14.17 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.923 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.39 109.47 6.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.049 0.425 . . . . 0.0 110.662 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 71.73 4.77 5.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.629 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.53 137.75 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.396 0.617 . . . . 0.0 112.151 -175.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -122.05 111.41 16.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 28.3 p90 -126.35 127.35 45.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.535 0.683 . . . . 0.0 111.935 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.87 118.61 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.361 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 177.58 175.67 44.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.75 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.33 -10.81 29.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.309 0.576 . . . . 0.0 110.108 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -156.48 167.54 30.13 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.48 -31.93 72.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.549 . . . . 0.0 110.057 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.29 -24.18 27.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.056 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -108.2 49.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.92 0.866 . . . . 0.0 109.156 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -95.61 112.16 23.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.431 175.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.7 -8.19 54.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -154.95 89.37 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 178.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 14' ' ' TYR . 49.0 tt0 -114.14 118.11 33.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 38' ' ' ILE . 20.2 tt -115.78 131.14 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.093 0.473 . . . . 0.0 110.17 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 82.6 p -125.72 140.63 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -122.46 132.88 54.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.934 0.397 . . . . 0.0 110.142 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 14.2 ptm180 -122.32 144.17 49.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.275 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.88 136.77 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.238 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 72' ' ' ILE . 10.6 m -110.98 -48.66 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.214 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.62 -91.21 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -128.22 -77.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -95.94 8.45 43.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -108.6 123.68 49.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -111.98 129.34 67.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.364 0.602 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.0 t-20 -96.71 128.93 44.13 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.134 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 26' ' ' ILE . 54.4 mt -103.14 98.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -97.06 -22.03 17.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 25.7 t60 -124.58 113.95 18.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.596 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.599 HG21 ' HB2' ' A' ' 78' ' ' ALA . 23.7 m -138.87 90.93 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.486 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.85 74.68 2.17 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.406 -175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 HG22 ' A' ' 41' ' ' THR . 77.2 t -94.82 124.76 47.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 -178.277 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.14 -41.13 99.37 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.374 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -73.08 -28.45 62.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.703 0.287 . . . . 0.0 110.943 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 6' ' ' ILE . 48.9 tptt -58.1 -46.6 85.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.942 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' A' ' 24' ' ' ALA . 71.7 mt -61.97 -53.66 52.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.923 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.8 mp -58.02 -42.18 84.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.991 -175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.44 -40.25 93.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.442 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.23 79.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 26' ' ' ILE . 76.0 t -72.77 -44.64 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.635 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 57' ' ' LEU . 83.2 t -59.17 -35.96 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -56.32 -52.18 65.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.447 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -72.39 -31.13 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -65.1 -60.39 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 90' ' ' ASP . 39.1 ttm180 -57.68 -36.81 72.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -55.47 -45.66 76.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.591 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 82.2 m-20 -97.94 6.44 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.21 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.86 17.98 10.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.729 0.776 . . . . 0.0 110.529 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -68.88 142.22 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.852 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -111.71 138.05 48.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.676 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.0 mt -97.84 125.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.16 0.505 . . . . 0.0 112.131 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 10.1 pt -121.55 99.08 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.09 169.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.474 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . -87.78 135.22 33.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -174.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -103.09 -12.15 17.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.667 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 6.4 p -73.19 106.79 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.702 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -59.14 -35.02 72.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.36 -47.53 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.809 0.338 . . . . 0.0 111.27 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.645 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -80.14 -36.85 34.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.432 -176.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 63.2 tttm -62.27 -32.02 72.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.472 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -68.25 -18.42 64.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.667 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.4 mtt -74.96 -39.74 61.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 88' ' ' TYR . 28.5 mt -66.44 -36.69 83.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.053 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 31.3 mm-40 -60.51 -36.58 78.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -93.13 -57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 20.7 tt0 -77.95 107.81 10.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.586 0.708 . . . . 0.0 110.458 -175.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.37 -29.58 67.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.034 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.7 m -58.74 -23.63 60.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 20.5 m-85 -81.65 -13.49 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.679 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 42.6 mt-30 -80.22 9.19 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.141 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' CG ' HH21 ' A' ' 65' ' ' ARG . 15.0 t70 -67.05 -42.4 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.629 0.728 . . . . 0.0 109.367 172.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -108.34 -20.46 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.679 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 63.1 t80 -77.01 136.0 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.583 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.123 0.487 . . . . 0.0 110.252 179.154 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.124 0.488 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.12 106.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -91.25 113.2 25.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -78.31 158.71 28.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 111.708 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.46 177.81 31.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 103.38 2.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.249 0.524 . . . . 0.0 110.698 -178.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 72.14 19.93 4.39 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.176 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.25 148.73 23.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.753 175.062 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -114.42 135.35 54.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 21.7 p90 -139.98 147.28 40.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HG13 ' A' ' 52' ' ' VAL . 29.1 mt -109.37 122.73 64.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.485 0.66 . . . . 0.0 110.084 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.92 -178.39 31.65 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.46 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.667 ' HB2' HD21 ' A' ' 21' ' ' ASN . 11.6 m-20 -69.58 -39.43 77.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.775 0.787 . . . . 0.0 111.316 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -150.67 -168.6 3.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -92.59 -12.11 32.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.811 0.338 . . . . 0.0 111.601 -176.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -86.09 -22.73 26.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.667 HD21 ' HB2' ' A' ' 17' ' ' ASP . 30.4 p-10 -125.43 27.23 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.158 0.504 . . . . 0.0 110.12 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 122.57 16.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.734 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.21 -25.56 55.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.419 . . . . 0.0 110.217 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -156.53 130.13 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.454 174.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -131.77 150.01 52.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.321 0.582 . . . . 0.0 110.92 177.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' A' ' 56' ' ' LEU . 16.0 tt -133.27 126.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.955 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 12' ' ' LYS . 14.2 p -105.65 139.76 39.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 14.0 p90 -154.96 144.57 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.9 148.07 29.41 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -77.06 104.47 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.415 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.76 -32.48 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -133.37 -82.43 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.632 0.253 . . . . 0.0 111.187 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -125.49 -64.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.056 0.455 . . . . 0.0 111.041 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -118.22 0.06 11.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.599 0.714 . . . . 0.0 109.829 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -85.17 121.86 28.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.382 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 71' ' ' ILE . 21.4 pt -121.39 125.11 73.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.335 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -106.22 138.05 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.037 0.446 . . . . 0.0 110.512 -179.406 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 27' ' ' THR . 71.5 mt -96.96 105.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.927 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.4 -53.82 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.516 -173.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -139.33 141.64 37.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -144.51 107.02 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.037 174.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -112.5 106.64 1.91 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.931 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.3 122.83 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.505 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 15' ' ' ILE . 77.1 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.842 0.354 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.76 -55.7 20.95 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.312 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -67.6 -25.41 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.882 0.341 . . . . 0.0 111.469 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.46 -48.6 78.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.317 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.567 HD21 HG13 ' A' ' 15' ' ' ILE . 97.1 mt -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 81' ' ' MET . 9.2 mp -60.44 -47.47 85.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.495 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.05 -33.49 76.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.845 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.46 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.224 0.535 . . . . 0.0 110.709 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.09 -45.17 80.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.731 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' LEU . 60.5 t -63.24 -39.84 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.387 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.61 -40.67 97.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.124 0.488 . . . . 0.0 110.231 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -71.45 -27.77 63.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.177 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.66 -36.68 81.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.341 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -65.17 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.44 -65.71 0.65 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.059 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.34 16.05 26.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.1 71.16 0.6 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 74.4 mt -103.99 142.89 33.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.884 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -98.1 116.05 29.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.888 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 36' ' ' ILE . 55.7 mt -91.04 116.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.338 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 16.7 pt -121.97 123.01 68.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.049 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.22 115.55 28.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.792 0.33 . . . . 0.0 111.439 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -79.16 -36.28 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.95 122.6 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.39 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 p -58.91 -36.53 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.444 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 81' ' ' MET . 84.1 t80 -61.47 -56.21 22.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.209 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -60.17 -40.54 90.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.783 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 92.1 m-70 -85.04 -23.51 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.119 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.507 ' HB3' HD21 ' A' ' 57' ' ' LEU . 83.3 mmm -60.35 -55.45 33.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.71 -20.19 62.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.466 0.65 . . . . 0.0 110.336 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 33.1 tt0 -77.06 -26.86 54.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.385 -176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 84' ' ' LYS . 38.7 mmtm -93.4 2.22 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -117.74 106.79 13.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.744 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.33 -24.06 65.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.747 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -70.71 -13.69 62.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -103.27 -10.18 18.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.765 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 78.74 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.33 0.586 . . . . 0.0 110.602 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -164.39 -44.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.97 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 m -95.35 -15.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.712 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.21 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.43 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.557 HG12 HD11 ' A' ' 15' ' ' ILE . 62.9 mt -60.98 113.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 42.3 mmtm -95.67 141.81 28.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.257 0.551 . . . . 0.0 111.013 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.11 143.05 33.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.119 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 -167.69 11.55 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.93 98.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.851 0.325 . . . . 0.0 110.992 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.14 27.96 15.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.59 0.556 . . . . 0.0 111.335 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.554 ' HB3' HG22 ' A' ' 27' ' ' THR . 14.7 ptmm? -149.2 148.56 29.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.042 0.449 . . . . 0.0 111.337 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -118.8 137.72 53.19 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -138.68 138.11 37.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.378 0.609 . . . . 0.0 111.405 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.642 HG13 HD21 ' A' ' 56' ' ' LEU . 53.5 mt -119.69 137.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.352 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.07 -153.54 25.38 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.918 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.0 t70 -70.01 -52.05 27.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.006 0.431 . . . . 0.0 111.496 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -160.87 -177.66 6.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.9 -29.01 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.38 -33.29 63.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.334 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 47.0 m-80 -122.27 55.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.125 -177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.18 128.27 35.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -91.56 -19.12 23.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.104 0.478 . . . . 0.0 109.859 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.49 109.07 1.45 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.109 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.5 140.23 52.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.303 0.573 . . . . 0.0 110.964 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -130.73 133.37 63.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.055 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HB3' ' A' ' 12' ' ' LYS . 72.5 p -110.73 139.05 46.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 -178.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -133.27 103.74 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.717 0.77 . . . . 0.0 109.438 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -114.69 159.25 20.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.453 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -83.65 128.18 34.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG21 HD11 ' A' ' 72' ' ' ILE . 14.2 m -101.21 -13.57 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.827 0.822 . . . . 0.0 108.835 169.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.593 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.0 t70 -155.34 176.66 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.174 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.27 -31.97 72.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 3.4 p-10 -124.56 15.04 8.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 111.278 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 45.6 mt-10 -130.18 130.46 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.484 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.3 pt -122.39 153.97 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 7.7 p-10 -126.28 149.75 48.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.176 177.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.8 mp -100.13 110.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 9.6 m-20 -76.35 -65.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -116.13 137.74 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.363 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 17.2 m -140.19 88.67 2.23 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.756 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.77 74.65 0.23 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.831 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 ' HA2' ' A' ' 53' ' ' GLY . 61.2 t -94.83 102.85 14.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.227 0.537 . . . . 0.0 110.517 -179.551 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 HD12 ' A' ' 15' ' ' ILE . 49.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -60.34 -44.11 97.89 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.759 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 25.9 ttmt -65.86 -39.99 91.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.526 0.203 . . . . 0.0 111.228 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -42.63 87.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.015 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 15' ' ' ILE . 87.8 mt -65.21 -46.41 80.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 82' ' ' LEU . 51.2 tp -65.4 -35.34 80.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.82 -49.45 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.571 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.11 86.62 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.61 -46.51 94.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 88' ' ' TYR . 86.6 t -64.6 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.878 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.78 -43.81 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.359 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -63.7 -41.17 98.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.069 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.65 78.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -56.09 -48.62 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.31 -45.62 79.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.187 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -85.78 1.75 48.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.95 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 64.34 33.01 11.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 61.0 mt -86.62 145.26 26.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.599 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 4.8 mptp? -96.53 139.21 32.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.6 mt -108.87 122.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.33 0.586 . . . . 0.0 112.3 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 31' ' ' VAL . 12.0 pt -123.76 108.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 170.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.414 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -86.8 111.24 20.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.296 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.4 t -72.33 -41.54 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.424 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 52.1 t -64.04 117.1 6.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.937 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 45.5 m -64.81 -16.8 63.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.154 -175.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.87 -50.03 58.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.52 62.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.273 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.619 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 38.4 ttmt -52.23 -57.37 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.586 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 57.6 m-70 -69.01 -21.45 64.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.7 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.3 ttm -73.07 -36.81 66.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 109.913 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 57' ' ' LEU . 83.7 mt -72.04 -29.45 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.293 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 74.8 mt-10 -68.64 -40.72 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.7 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 30.7 mmtp -85.94 -44.53 12.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.89 -169.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -87.48 118.78 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.12 -26.14 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.754 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -60.44 -24.78 65.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.819 0.343 . . . . 0.0 110.717 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 61' ' ' VAL . 24.0 m-85 -100.51 -22.86 14.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.1 tt0 -69.4 -14.44 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.442 -173.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.69 -40.64 92.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 111.13 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.63 7.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.604 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.853 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 69.6 t80 -100.49 136.41 40.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 70' ' ' LYS . 7.4 mp . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.273 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.339 0.59 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -78.75 93.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -84.51 116.7 23.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.599 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -100.32 138.88 36.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.361 0.6 . . . . 0.0 110.76 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.35 142.96 5.73 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.909 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 45.48 46.15 10.67 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.011 0.924 . . . . 0.0 113.181 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 69.51 16.48 8.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.968 0.507 . . . . 0.0 111.086 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' THR . 33.9 ttpt -125.32 127.13 46.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.258 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -101.1 104.01 15.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 35.5 p90 -120.03 126.8 51.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.413 0.625 . . . . 0.0 111.251 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.558 HG13 HD21 ' A' ' 56' ' ' LEU . 29.0 mt -90.27 115.01 28.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.504 173.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.4 163.6 30.07 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.954 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.46 -8.7 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.509 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.4 t70 -158.41 161.81 37.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.23 -40.68 94.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.291 . . . . 0.0 110.598 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -83.87 -3.83 58.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 12.5 m120 -117.9 30.79 7.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.43 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 14' ' ' TYR . . . -76.25 109.75 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.055 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 -26.73 48.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.298 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -146.37 98.72 3.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.984 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.1 pt-20 -116.21 116.63 28.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.47 . . . . 0.0 111.356 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' HB ' HG23 ' A' ' 41' ' ' THR . 15.1 tt -106.42 118.32 53.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.156 0.503 . . . . 0.0 109.981 176.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' ' 12' ' ' LYS . 82.2 p -110.3 140.04 44.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 -175.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' HB3' HG13 ' A' ' 38' ' ' ILE . 32.3 p90 -146.62 134.42 21.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.105 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 29' ' ' ARG . 51.8 mtm180 -109.16 143.47 38.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.075 0.464 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -81.2 87.4 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.152 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.77 -20.5 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.217 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 23.2 t0 -153.07 52.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.441 0.638 . . . . 0.0 110.034 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.5 t30 66.65 -77.29 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.942 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 4.1 m-20 -89.8 -9.55 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.852 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 2.9 tp10 -86.32 105.42 16.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.276 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.62 HD11 HG12 ' A' ' 71' ' ' ILE . 31.8 pt -105.87 116.52 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.63 0.729 . . . . 0.0 111.427 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HA ' HG13 ' A' ' 72' ' ' ILE . 6.7 t30 -98.61 113.04 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' A' ' 28' ' ' TYR . 2.2 mp -78.98 108.2 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.78 -56.04 9.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.712 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -152.59 142.88 22.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.956 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 43' ' ' VAL . 22.2 m -108.9 89.2 2.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.63 78.9 1.94 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.601 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 41' ' ' THR . 43.9 t -104.65 121.65 56.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.47 0.653 . . . . 0.0 109.843 177.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.61 -52.44 52.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.55 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -74.22 -20.78 60.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.699 -0.295 . . . . 0.0 110.929 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.95 -40.6 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 15' ' ' ILE . 73.9 mt -67.54 -50.66 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.64 -37.39 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -54.72 -55.36 30.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.756 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 26' ' ' ILE . 59.6 t -67.6 -51.72 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.12 -178.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.59 -38.87 83.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.708 0.29 . . . . 0.0 110.912 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 35.1 tt0 -61.88 -50.83 70.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -66.97 -34.18 77.2 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.568 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.34 -52.49 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -62.12 -30.06 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.3 mt-10 -58.34 -47.75 82.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.989 0.423 . . . . 0.0 111.225 175.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 35.4 m-80 -101.8 12.34 37.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.806 -171.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.85 35.06 13.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.679 0.752 . . . . 0.0 110.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 64' ' ' ALA . 74.5 mt -82.95 134.89 35.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 93' ' ' LEU . 8.8 mtmp? -103.07 131.18 50.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.112 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.62 HG12 HD11 ' A' ' 36' ' ' ILE . 42.1 mt -94.75 119.36 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.298 -169.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.551 HG13 ' HA ' ' A' ' 37' ' ' ASN . 16.1 pt -118.48 106.42 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.724 170.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.72 116.07 27.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.351 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.8 t -88.92 -16.53 31.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.41 138.72 31.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.683 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -59.43 -44.18 92.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.543 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.34 -57.78 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.421 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.87 93.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.388 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -65.36 -29.27 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -72.84 -38.81 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.979 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.2 mtp -69.91 -48.42 58.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.11 -30.96 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.397 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -84.83 -17.34 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -86.14 -29.69 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 109.63 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.41 111.62 22.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.159 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.39 -38.68 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.4 m -68.56 -28.16 66.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.132 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -80.47 -11.27 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.681 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.881 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 44.1 mt-30 -81.76 7.52 12.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.546 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.09 -55.6 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.372 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -9.67 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.769 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.881 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 59.0 t80 -83.21 119.36 24.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.193 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.4 pt? . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.673 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.83 97.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.152 0.501 . . . . 0.0 110.383 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.6 mmmm -86.9 130.17 34.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.772 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.38 130.24 53.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.87 -146.71 8.8 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.312 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 85.05 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.989 0.516 . . . . 0.0 110.662 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.64 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 49.6 m-80 45.86 49.49 11.68 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.863 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 27' ' ' THR . 60.1 pttt -153.73 163.78 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.75 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -120.98 134.14 55.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 3.6 p90 -149.47 140.11 22.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 0.0 110.824 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 56' ' ' LEU . 58.1 mt -125.09 124.82 68.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.169 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.3 -178.89 47.31 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.054 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.33 -25.99 38.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.792 0.806 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 23.0 t70 -153.48 169.13 23.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.804 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.409 0.623 . . . . 0.0 109.807 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -76.88 -34.08 57.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.759 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.6 m-20 -92.87 39.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.223 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 112.06 5.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.248 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -84.96 -31.91 23.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -139.78 105.37 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.08 177.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 148.75 45.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.963 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.29 117.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.238 0.542 . . . . 0.0 110.051 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' CB ' ' A' ' 12' ' ' LYS . 39.3 p -107.04 139.67 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.081 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -131.13 165.07 24.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.64 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.6 153.42 43.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.397 178.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.42 100.44 13.04 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -78.54 -41.75 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.941 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.85 -88.52 0.62 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.764 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -123.91 -65.93 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.242 -0.287 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 91.9 m-20 -113.41 -5.39 13.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.211 0.529 . . . . 0.0 110.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.87 114.51 15.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.466 HD11 HG12 ' A' ' 71' ' ' ILE . 23.6 pt -104.03 123.38 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.206 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' HG13 ' A' ' 72' ' ' ILE . 35.7 t30 -102.58 118.19 36.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.819 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.0 110.74 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -60.52 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.973 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -124.04 147.39 47.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.99 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -132.43 88.17 2.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.089 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.81 61.22 4.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.97 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 75.0 t -97.11 122.69 48.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 121.623 0.725 . . . . 0.0 111.149 -179.426 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.56 0.219 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.98 94.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.668 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -78.91 -22.9 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.519 0.199 . . . . 0.0 110.476 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -60.22 -53.7 54.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -69.09 -39.51 78.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.44 -42.35 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -64.28 -40.96 97.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.238 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.7 89.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.877 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 56' ' ' LEU . 96.0 t -66.31 -52.08 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.2 t -58.54 -46.9 89.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 31.5 tt0 -60.09 -48.04 83.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.374 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.492 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 78.0 t60 -69.65 -31.69 69.92 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.965 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.3 92.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.253 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -62.5 -33.43 74.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.518 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 42.8 mt-10 -60.31 -49.6 76.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.045 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -99.49 11.77 38.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.849 -172.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 59.82 37.31 21.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.623 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 83.2 mt -84.16 150.83 25.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.546 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.01 123.79 48.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.657 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.553 ' HB ' ' HA ' ' A' ' 92' ' ' TYR . 58.2 mt -92.57 120.85 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.88 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 37' ' ' ASN . 29.9 pt -128.75 155.29 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.904 171.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.24 126.55 19.97 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.868 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -84.04 -25.48 29.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.98 107.5 9.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.989 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.445 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 17.2 m -62.18 -28.44 69.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.663 -176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.96 -53.0 63.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.307 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HA ' ' HE2' ' A' ' 81' ' ' MET . . . -72.58 -36.21 68.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 61.9 tttm -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.3 -22.78 61.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.231 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 68.7 mtm -71.92 -38.78 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.038 0.447 . . . . 0.0 109.993 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' CD2' ' A' ' 88' ' ' TYR . 46.6 mt -71.85 -33.38 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.222 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.25 -30.4 62.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -80.49 -27.93 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 88' ' ' TYR . 6.5 tp10 -90.52 106.01 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.221 0.534 . . . . 0.0 110.189 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.39 -28.43 68.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 m -75.19 -0.58 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 85' ' ' GLU . 21.0 m-30 -105.19 -3.36 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.074 -0.391 . . . . 0.0 111.306 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -81.62 28.22 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -173.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.74 -21.11 12.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.856 0.36 . . . . 0.0 110.121 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.426 HG21 HG13 ' A' ' 61' ' ' VAL . 10.9 m -120.28 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 30.4 t80 -80.28 127.45 32.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.979 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -176.757 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.235 0.3 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 15' ' ' ILE . 57.9 mt -73.8 106.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.901 0.381 . . . . 0.0 109.988 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.01 137.9 39.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.062 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -98.32 149.26 22.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.8 0.333 . . . . 0.0 110.173 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 -166.76 14.17 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.978 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 21.8 mp0 -63.46 101.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.26 0.224 . . . . 0.0 110.716 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 60.52 27.08 16.73 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.618 0.573 . . . . 0.0 111.432 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 27' ' ' THR . 22.5 pttm -157.19 160.05 38.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 0.0 112.039 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.24 134.45 50.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -136.97 138.64 40.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.469 0.652 . . . . 0.0 111.718 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 56' ' ' LEU . 42.7 mt -110.76 123.0 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.787 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 174.55 163.39 27.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.133 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -42.89 80.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.586 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -132.93 167.01 21.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.211 0.529 . . . . 0.0 109.914 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -85.83 -31.3 22.35 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.84 43.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.879 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -80.36 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.005 177.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -86.76 -18.97 29.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.701 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.55 112.54 1.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.85 140.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.219 0.533 . . . . 0.0 110.617 177.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.46 130.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.347 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 12' ' ' LYS . 70.3 p -111.12 138.33 47.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -118.85 119.65 34.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -102.77 148.55 25.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -97.76 106.79 19.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.728 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 37' ' ' ASN . 15.2 m -86.33 -42.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.778 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.99 99.91 2.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 0.0 111.63 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 60.6 -82.76 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.711 172.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -118.09 1.42 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.97 111.51 23.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -111.44 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.1 p30 -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.98 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 78' ' ' ALA . 2.1 mp -70.69 110.84 3.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.46 -42.75 13.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.737 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -140.43 141.4 35.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.2 m -146.97 97.62 2.92 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.706 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -107.51 91.13 0.68 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.439 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 24' ' ' ALA . 47.4 t -106.05 106.53 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.819 0.343 . . . . 0.0 110.703 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.644 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.857 0.361 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.37 -39.35 97.14 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.305 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -68.43 -35.17 77.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.552 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.06 -38.84 82.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.311 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 15' ' ' ILE . 74.2 mt -61.07 -48.39 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.968 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -54.98 -47.52 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.747 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 25.0 ttpp -57.87 -46.66 84.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.87 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.024 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 56' ' ' LEU . 89.4 t -62.77 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.06 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 91' ' ' VAL . 91.2 t -58.75 -44.65 90.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 38.1 mm-40 -55.89 -56.8 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.994 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -62.78 -39.42 94.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.754 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.19 97.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -33.02 75.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.233 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 48.5 mt-10 -69.59 -35.75 75.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.802 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.581 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m120 -96.94 -0.46 47.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.312 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.8 t30 57.59 47.11 16.54 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.825 0.821 . . . . 0.0 110.651 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.2 mt -90.35 147.56 23.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.818 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -106.04 137.03 44.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -110.57 126.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 0.0 112.682 -169.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.2 pt -125.43 176.8 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.504 167.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.6 129.56 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.268 -0.573 . . . . 0.0 112.035 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -90.65 -32.66 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.13 119.9 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.113 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -63.52 -36.19 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.91 -46.73 81.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' HG21 ' A' ' 38' ' ' ILE . . . -74.65 -38.81 62.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.9 -40.52 80.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -66.87 -33.5 75.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.7 mtm -73.5 -43.16 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.789 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.5 -30.55 71.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.042 0.448 . . . . 0.0 110.944 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.33 -25.41 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.056 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.12 -32.77 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -120.79 117.2 26.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 0.0 110.052 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.472 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 17.3 m-20 -77.05 3.94 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.489 -173.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 m -74.5 -16.1 60.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.948 0.404 . . . . 0.0 110.503 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -87.98 1.13 54.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.838 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 86' ' ' ASP . 47.6 mt-30 -62.8 -14.83 50.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.03 -36.56 80.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.193 0.521 . . . . 0.0 110.998 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG21 HG22 ' A' ' 61' ' ' VAL . 15.2 m -110.0 -39.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -84.29 112.96 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 -178.378 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.178 0.514 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' A' ' 59' ' ' ALA . 56.5 mt -78.71 105.8 8.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.487 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -94.39 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -79.7 156.5 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.764 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.66 -158.7 10.14 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.828 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.63 90.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.375 0.67 . . . . 0.0 112.361 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.16 23.79 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.941 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.586 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.42 148.01 22.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.861 -177.094 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -105.22 133.99 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -134.8 150.83 50.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.389 0.614 . . . . 0.0 111.71 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -123.2 116.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.047 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.68 166.6 30.66 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.176 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.63 -35.29 80.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -159.48 168.38 26.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 38.8 mt-10 -71.57 -22.5 61.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.66 0.664 . . . . 0.0 111.281 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.44 -31.32 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -110.01 31.19 6.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.716 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 19' ' ' GLU . . . -67.27 106.72 2.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.02 -37.09 69.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -155.65 128.79 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 4.7 pt-20 -138.61 143.04 39.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.172 172.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.94 113.13 36.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.586 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.6 p -89.12 140.66 29.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.187 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 44.4 p90 -134.91 128.79 33.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.221 0.534 . . . . 0.0 110.398 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.67 166.57 12.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.885 -178.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -101.22 105.98 17.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.0 -26.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -136.63 -75.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.692 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -165.23 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' HD23 ' A' ' 69' ' ' LEU . 60.4 t30 -89.46 -6.59 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.938 0.875 . . . . 0.0 109.747 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.802 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 34.5 mt-10 -107.38 115.34 29.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.722 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 33.5 pt -112.55 135.34 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.148 0.499 . . . . 0.0 110.851 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.2 p-10 -109.37 138.56 45.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -178.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 27' ' ' THR . 3.1 mp -85.24 102.26 10.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -58.81 -68.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.34 0.591 . . . . 0.0 110.395 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 14.4 p-80 -132.57 149.45 52.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.098 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 43' ' ' VAL . 12.0 m -113.32 94.45 4.88 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -80.76 63.09 4.3 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.758 -172.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 41' ' ' THR . 92.8 t -96.16 119.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.028 179.036 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.55 -38.27 80.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -79.61 -21.84 44.43 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.552 -0.381 . . . . 0.0 110.806 -176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.49 -35.91 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 109.864 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD11 ' HB1' ' A' ' 24' ' ' ALA . 81.4 mt -69.25 -41.12 77.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.49 -42.57 92.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.86 -46.11 78.3 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.567 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -53.52 -49.45 67.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.448 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.04 -45.77 62.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.346 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.59 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.639 0.257 . . . . 0.0 111.093 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.41 -52.15 66.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.467 . . . . 0.0 110.492 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -70.17 -27.03 64.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.071 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.92 87.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.331 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.941 HH12 ' HB2' ' A' ' 90' ' ' ASP . 14.5 mmt180 -57.79 -41.11 81.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.101 0.477 . . . . 0.0 110.536 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.52 -56.69 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.612 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.546 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m-20 -87.99 -4.44 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.021 -170.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 4.7 m-20 66.94 34.49 5.26 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.09 0.472 . . . . 0.0 110.198 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 63.7 mt -73.61 151.7 40.77 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.398 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.802 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 89.6 mttt -92.76 135.08 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.535 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 49.6 mm -108.69 115.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.109 0.48 . . . . 0.0 111.6 -176.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.8 148.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.201 171.245 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.84 140.07 52.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.8 t -92.99 -37.68 12.07 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.2 t -63.69 117.41 6.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.384 177.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -56.89 -38.54 72.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.02 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -57.82 -56.87 16.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.24 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.23 -45.13 91.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.536 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -70.56 -26.41 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.168 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 24.7 ttp -77.98 -42.63 32.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.23 -28.85 69.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.79 -19.13 55.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.503 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -97.54 -41.05 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.547 -175.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -88.31 141.99 28.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.326 0.584 . . . . 0.0 111.512 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.45 -27.95 56.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.051 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 p -64.33 -15.92 61.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -105.37 -3.05 23.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.6 0.238 . . . . 0.0 111.075 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.3 1.34 9.68 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.166 0.507 . . . . 0.0 112.178 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.941 ' HB2' HH12 ' A' ' 65' ' ' ARG . 46.4 m-20 -95.37 -39.78 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.96 0.409 . . . . 0.0 110.706 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.417 ' HB ' HG12 ' A' ' 71' ' ' ILE . 14.8 m -99.33 -34.85 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 33.3 t80 -71.67 127.02 31.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.909 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.791 -178.644 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' A' ' 55' ' ' LYS . 54.8 mt -91.6 116.41 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.665 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.16 120.42 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' HD1' ' A' ' 13' ' ' PHE . 5.4 pm0 -95.06 135.48 36.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.88 -172.09 22.27 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.438 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.88 99.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 111.731 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 62.66 15.48 8.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.718 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 27' ' ' THR . 8.5 ptpp? -142.53 140.15 31.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.365 0.603 . . . . 0.0 111.976 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HD1' ' HA ' ' A' ' 8' ' ' GLN . 36.4 m-85 -120.72 122.22 39.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 30.5 p90 -138.85 145.9 40.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.208 0.528 . . . . 0.0 112.045 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.604 HG13 HD21 ' A' ' 56' ' ' LEU . 68.3 mt -111.09 119.93 60.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.734 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.8 175.72 37.83 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.13 -28.21 20.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.424 0.612 . . . . 0.0 110.276 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -138.61 166.59 23.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.98 -28.52 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.628 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.02 -53.17 33.82 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -99.0 33.59 2.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.77 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.84 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.14 -34.5 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.92 123.75 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 174.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -127.24 138.04 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.603 174.214 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -120.73 131.09 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.075 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 12' ' ' LYS . 33.9 p -117.36 137.84 52.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 35.1 p90 -135.27 139.35 44.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.032 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -127.2 141.33 51.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -76.41 111.25 11.67 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -82.4 -43.96 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.341 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.528 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 15.6 t70 -116.73 -77.94 0.57 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.229 -177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.98 -78.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -95.0 -3.46 48.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.27 0.557 . . . . 0.0 110.316 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 52.6 mp0 -81.47 110.57 17.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.998 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 HG12 ' A' ' 71' ' ' ILE . 33.9 pt -104.76 132.25 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -109.09 132.03 54.5 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.778 179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.55 104.31 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.442 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.79 -43.83 57.73 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.656 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -149.38 137.1 20.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.092 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 43' ' ' VAL . 48.5 m -135.35 99.08 4.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.631 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -101.6 85.51 0.56 Allowed Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.732 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' THR . 52.8 t -97.58 105.79 17.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.258 0.552 . . . . 0.0 109.712 177.404 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.526 HG13 HD12 ' A' ' 15' ' ' ILE . 61.7 t . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.53 94.16 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.852 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.584 0.231 . . . . 0.0 110.93 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.8 ttmm -64.69 -37.06 86.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 110.174 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HG13 ' A' ' 15' ' ' ILE . 95.5 mt -66.32 -50.35 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.26 -35.73 78.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.48 -48.0 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.93 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 56' ' ' LEU . 91.7 t -63.62 -54.02 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 91.9 t -61.51 -37.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.701 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -55.34 -52.15 64.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 110.385 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -67.81 -30.67 70.14 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.52 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.364 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 17.7 mmm180 -67.07 -43.4 82.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.364 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.52 -61.2 2.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.132 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ASN . 37.0 m-80 -89.42 -8.2 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.423 -171.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 67' ' ' ASN . 8.8 t30 68.09 84.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.897 0.856 . . . . 0.0 109.641 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.49 148.48 37.8 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.732 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.714 ' HB3' HD11 ' A' ' 93' ' ' LEU . 97.0 mttt -105.33 123.69 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 36' ' ' ILE . 64.2 mt -99.94 117.64 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.216 0.531 . . . . 0.0 112.092 -172.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.66 HG23 HD13 ' A' ' 93' ' ' LEU . 15.3 pt -117.55 148.93 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.056 170.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.38 117.16 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.893 0.378 . . . . 0.0 111.712 -175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -88.8 -25.77 22.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.23 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.2 t -81.9 124.4 29.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.901 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m -61.77 -45.22 94.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.482 ' HE2' ' HB ' ' A' ' 43' ' ' VAL . 72.4 t80 -60.14 -41.03 91.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.07 84.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.039 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.4 -36.89 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -66.25 -30.71 71.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.272 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.5 mtp -73.45 -36.99 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.47 -38.35 89.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.24 -33.77 76.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.337 175.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -70.8 -49.61 44.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -99.17 92.0 5.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 109.979 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -72.11 -8.37 54.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.101 -174.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -64.0 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 0.0 110.441 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 61' ' ' VAL . 21.3 m-85 -85.46 -13.76 48.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.769 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 mt-30 -76.32 5.02 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.66 -39.38 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 109.933 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.8 m -98.73 2.02 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.682 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.769 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 33.9 t80 -88.97 114.42 25.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.555 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.774 HD12 ' H ' ' A' ' 93' ' ' LEU . 2.5 mp . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.981 0.42 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.499 HG12 HD11 ' A' ' 15' ' ' ILE . 55.9 mt -86.36 114.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.937 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 148.95 22.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -112.99 129.51 56.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.99 0.424 . . . . 0.0 111.326 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.32 -173.23 13.26 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.785 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 26.6 mt-10 -70.46 100.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.498 0.189 . . . . 0.0 110.888 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 12.4 m120 72.74 9.98 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.104 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -139.42 143.22 37.54 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.091 -0.644 . . . . 0.0 112.377 -179.476 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -112.23 127.13 55.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -131.61 133.97 45.53 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.459 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.499 HD11 HG12 ' A' ' 6' ' ' ILE . 69.1 mt -111.3 127.13 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.934 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.69 175.26 40.5 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.385 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.12 -37.27 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.215 0.531 . . . . 0.0 110.565 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -146.18 170.25 17.11 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -61.86 -36.76 82.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.78 -37.09 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.136 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.43 37.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.73 105.12 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.094 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.06 -31.37 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -150.87 117.68 5.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -122.88 139.37 54.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.125 0.488 . . . . 0.0 110.318 175.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.537 ' HB ' HG23 ' A' ' 41' ' ' THR . 13.5 tt -125.72 123.68 64.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.602 HG22 ' HB3' ' A' ' 12' ' ' LYS . 28.3 p -105.36 138.12 42.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.548 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.8 p90 -146.28 137.71 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -139.41 144.97 38.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.646 0.26 . . . . 0.0 110.848 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -68.42 110.22 4.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.935 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.13 -27.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 0.0 110.468 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.26 94.61 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 59.4 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.585 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -104.38 -14.4 15.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.622 0.249 . . . . 0.0 111.47 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 45.8 mt-10 -80.99 117.16 21.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 0.0 111.105 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 HD11 HG12 ' A' ' 71' ' ' ILE . 23.3 pt -109.26 121.66 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.441 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 4.2 t-20 -94.06 120.46 34.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.441 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.5 mp -80.15 107.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 35.9 t70 -74.46 -60.89 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.194 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 23.7 p-80 -144.34 144.51 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.091 0.472 . . . . 0.0 111.001 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 26' ' ' ILE . 17.4 m -134.73 100.73 4.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.286 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.772 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.83 114.03 4.89 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.365 -175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.52 109.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.019 179.704 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.5 -28.63 73.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.176 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HE2' ' OH ' ' A' ' 88' ' ' TYR . 12.6 tptm -64.77 -36.06 83.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 110.225 -178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.13 -37.31 69.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.456 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 15' ' ' ILE . 89.3 mt -61.46 -46.92 88.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 61' ' ' VAL . 8.2 mp -59.74 -46.08 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.716 177.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.62 -39.25 83.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.61 98.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.5 -49.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.489 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.479 HG13 HG21 ' A' ' 91' ' ' VAL . 85.4 t -58.21 -40.86 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -55.11 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -71.7 -25.49 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.561 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.49 -54.43 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.652 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -59.73 -38.81 82.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.442 0.639 . . . . 0.0 109.602 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.71 -41.26 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.107 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.49 15.88 9.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.63 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 54.16 56.94 6.39 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.329 0.585 . . . . 0.0 111.229 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 87.4 mt -96.08 139.9 31.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 96.3 mttt -87.07 114.34 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.653 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 HD11 ' A' ' 36' ' ' ILE . 41.6 mt -86.0 113.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 111.117 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' HA ' ' A' ' 37' ' ' ASN . 12.8 pt -123.09 106.75 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -97.46 118.79 34.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.25 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 m -90.18 -28.39 18.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.457 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 42.6 t -67.15 117.08 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.854 176.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -58.14 -35.96 72.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.993 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -62.76 -46.81 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.643 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.78 55.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -58.53 -46.27 87.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.605 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -72.99 -23.47 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.831 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 33.4 ttm -74.18 -41.65 61.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.18 -32.85 74.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.288 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -70.19 -23.67 63.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.87 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -73.69 -52.83 11.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.434 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -99.86 128.94 45.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.96 0.41 . . . . 0.0 110.443 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' HA ' ' OE1' ' A' ' 89' ' ' GLN . 7.4 p-10 -70.21 -9.95 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.379 -172.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 m -79.55 1.34 26.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.695 0.283 . . . . 0.0 111.682 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.548 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 66.4 m-85 -105.43 -14.49 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 86' ' ' ASP . 15.3 mp0 -70.62 -0.4 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -76.86 -47.35 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 110.224 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HG13 ' A' ' 61' ' ' VAL . 6.4 m -99.38 -26.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.224 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -82.5 129.28 34.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 70' ' ' LYS . 83.3 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.236 0.541 . . . . 0.0 110.889 -177.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG3' ' A' ' 55' ' ' LYS . 65.7 mt -96.47 108.23 20.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.989 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.11 135.16 33.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -97.07 140.05 32.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.904 -175.662 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -151.89 5.52 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.109 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.39 89.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.989 0.515 . . . . 0.0 111.506 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 95.1 m-20 55.11 26.55 8.34 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.506 0.504 . . . . 0.0 110.921 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.7 ptpt -136.83 153.61 50.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.569 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 69.1 m-85 -122.84 117.62 26.04 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -127.76 134.19 49.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.457 0.646 . . . . 0.0 112.253 -174.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.5 125.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.94 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . -177.78 172.13 44.75 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.153 -1.022 . . . . 0.0 112.305 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.51 -26.48 55.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.626 0.727 . . . . 0.0 110.099 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.46 162.0 40.49 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.94 -33.84 72.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.109 0.481 . . . . 0.0 110.182 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -80.84 -21.77 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.985 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.24 35.61 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.413 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -71.45 113.47 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.112 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.53 -5.41 54.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.945 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -162.2 109.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.97 152.73 52.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.078 0.466 . . . . 0.0 111.443 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.31 131.71 58.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.24 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 73.6 p -121.08 138.55 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 37.6 p90 -138.58 127.95 24.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.975 0.416 . . . . 0.0 110.095 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -113.28 145.93 40.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.67 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.743 ' HB3' ' HA ' ' A' ' 33' ' ' ASN . 76.4 m-85 -80.44 102.92 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.417 -176.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.6 m -85.52 -26.16 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 0.0 110.519 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 28.9 t70 -134.8 8.69 3.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.266 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.743 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 4.6 m-20 72.62 -56.06 0.66 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.76 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.04 -36.19 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 109.664 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 44.2 mt-10 -93.73 121.04 34.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 174.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 HG12 ' A' ' 71' ' ' ILE . 38.1 pt -110.67 138.97 36.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.706 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -114.4 119.03 35.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.88 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.98 101.92 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.67 -58.68 2.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.183 -168.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 81.2 t60 -127.48 141.45 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.363 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -147.76 102.64 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.83 106.52 2.18 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 86.3 t -125.5 126.59 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.551 0.215 . . . . 0.0 110.989 -174.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.548 175.122 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t . . . . . 0 C--O 1.236 0.369 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.55 -25.35 68.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.11 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 16.2 tppt? -58.59 -36.67 74.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.319 176.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.682 ' HG3' HD11 ' A' ' 6' ' ' ILE . 41.3 tptt -71.1 -57.32 4.63 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.383 0.611 . . . . 0.0 110.21 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.02 -47.9 84.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.47 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' HB ' ' A' ' 60' ' ' VAL . 26.1 tp -72.24 -25.08 61.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.017 -175.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 24.1 ttpp -58.4 -51.49 69.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.37 75.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.992 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' HD12 ' A' ' 57' ' ' LEU . 57.4 t -65.28 -49.47 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -42.36 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 60.6 mt-10 -61.23 -47.24 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.919 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -70.38 -31.72 69.07 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.08 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.165 175.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.48 -36.71 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.292 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.9 mt-10 -57.98 -39.64 78.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.187 0.518 . . . . 0.0 111.029 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.558 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 31.0 m-80 -110.78 10.86 22.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.858 -173.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 54.56 43.0 30.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.171 0.51 . . . . 0.0 110.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 79.4 mt -83.58 142.38 30.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.24 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.02 120.46 32.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 36' ' ' ILE . 36.4 mt -94.06 120.09 42.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.267 0.556 . . . . 0.0 112.009 -174.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -126.64 159.01 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.672 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 136.75 37.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.5 m -90.22 -31.28 17.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.439 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 98.5 m -75.34 123.63 25.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.059 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -57.18 -38.79 74.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.231 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.84 -47.7 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.079 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -78.9 -41.42 29.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.082 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.46 -51.3 70.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.623 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.438 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 9.8 t60 -72.6 -19.05 61.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.776 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -70.47 -42.19 71.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 88' ' ' TYR . 46.5 mt -58.74 -38.51 78.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.626 177.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HG2' ' CE2' ' A' ' 92' ' ' TYR . 31.8 mt-10 -74.26 -22.4 59.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.25 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -80.14 -44.99 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -109.6 144.65 37.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.2 0.524 . . . . 0.0 111.816 -170.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.94 -36.42 74.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.674 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 p -57.05 -41.68 79.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.873 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 82' ' ' LEU . 20.9 m-85 -81.13 -31.14 34.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -57.51 -25.26 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.27 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.5 -37.35 67.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.09 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.69 11.1 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.95 0.405 . . . . 0.0 111.666 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 52.5 t80 -95.31 135.02 37.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.086 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.155 -179.132 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.52 HG12 HD11 ' A' ' 15' ' ' ILE . 58.4 mt -76.5 106.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.917 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -86.38 116.98 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.106 0.479 . . . . 0.0 110.61 -177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.625 ' HG2' ' HE1' ' A' ' 13' ' ' PHE . 77.9 mt-30 -73.15 121.39 20.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.728 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.0 -161.23 11.48 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.762 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pm0 -69.7 95.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 0.0 110.752 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.18 23.39 12.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.364 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.4 ptpt -140.21 160.45 39.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.345 0.593 . . . . 0.0 112.145 -173.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.625 ' HE1' ' HG2' ' A' ' 8' ' ' GLN . 36.0 m-85 -122.68 114.5 20.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.407 168.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.73 150.02 50.46 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.641 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 47.6 mt -142.39 149.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.031 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.78 -178.65 39.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.79 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.19 -28.43 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 109.424 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -156.25 168.1 28.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.532 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.64 -28.5 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.231 0.539 . . . . 0.0 110.095 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.67 -34.72 67.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.384 0.611 . . . . 0.0 110.127 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -107.93 44.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.202 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 116.78 6.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.513 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 44' ' ' SER . 95.8 mt -88.25 -4.12 58.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.54 0.686 . . . . 0.0 109.717 176.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.52 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -140.47 125.7 18.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.073 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -154.98 114.59 3.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 13.8 tt -144.15 134.97 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.687 0.279 . . . . 0.0 110.945 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.522 HG22 ' HB3' ' A' ' 12' ' ' LYS . 39.7 p -123.09 139.51 54.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 16.2 p90 -125.12 100.16 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.367 0.603 . . . . 0.0 110.571 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -95.76 136.35 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -75.75 121.04 21.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.923 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 72' ' ' ILE . 15.6 m -103.11 -49.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 12.4 t70 -110.08 -82.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.439 -175.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -137.44 -46.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.732 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -130.07 0.43 4.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.388 0.613 . . . . 0.0 110.02 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 32.1 mp0 -81.28 107.55 14.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.325 -176.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 13.9 pt -90.27 110.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.478 0.656 . . . . 0.0 109.82 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HA ' HG13 ' A' ' 72' ' ' ILE . 34.2 t30 -87.28 112.25 21.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.478 -177.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.99 100.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 109.42 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 9.7 t70 -84.48 -58.6 2.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.467 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 14.0 t60 -108.99 133.87 52.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.376 -174.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 30.1 m -143.64 104.47 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.455 . . . . 0.0 110.442 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.16 106.1 1.09 Allowed Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.654 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.18 154.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.442 0.639 . . . . 0.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.94 97.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.72 -46.34 82.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.75 0.309 . . . . 0.0 110.44 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -58.49 -42.61 87.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.99 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD11 ' HB1' ' A' ' 24' ' ' ALA . 95.8 mt -67.18 -54.28 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.983 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.51 HD11 HD21 ' A' ' 82' ' ' LEU . 24.0 tp -65.73 -41.78 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.145 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -61.91 -38.78 89.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.682 0.277 . . . . 0.0 110.518 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.87 99.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.49 -49.55 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.59 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.496 HG13 HG11 ' A' ' 91' ' ' VAL . 99.3 t -58.41 -37.96 66.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.159 0.504 . . . . 0.0 111.017 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.23 -55.03 38.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -71.66 -27.48 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.725 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.82 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.11 -35.49 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.657 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.68 -45.2 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.05 8.24 40.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.452 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 59.2 39.19 23.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.772 0.796 . . . . 0.0 110.344 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.15 157.76 21.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.429 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HD2' HD11 ' A' ' 93' ' ' LEU . 72.1 mmtt -113.46 135.36 53.96 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.96 125.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 112.062 -172.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 31' ' ' VAL . 31.5 pt -130.53 161.5 40.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.622 171.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.61 137.61 42.09 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.737 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -104.82 -16.97 14.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.439 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 50.6 t -76.57 127.92 33.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.885 175.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -62.42 -41.21 98.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.33 -53.03 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.757 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.72 96.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.9 ttmt -59.23 -50.64 73.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -68.98 -26.29 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.12 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.5 ttp -72.06 -37.62 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 109.977 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 57' ' ' LEU . 79.4 mt -69.51 -39.87 77.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.671 175.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 43.8 mt-10 -68.34 -28.28 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -64.28 -60.61 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.137 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 5.0 tp10 -84.81 134.19 34.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.56 -172.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.49 -37.52 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.816 -173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -68.07 -28.15 67.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 23.8 m-85 -76.86 -13.07 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.521 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.63 1.48 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.12 -49.1 11.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 110.152 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 HG13 ' A' ' 61' ' ' VAL . 23.1 m -83.9 -20.18 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.106 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -91.34 110.34 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.146 0.498 . . . . 0.0 109.803 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.51 HD11 ' HD2' ' A' ' 70' ' ' LYS . 6.2 mp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.153 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.662 HD11 ' HG2' ' A' ' 55' ' ' LYS . 64.7 mt -62.07 113.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.948 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 7' ' ' LYS . 1.2 mmpm? -89.43 112.73 23.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -86.45 120.09 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.501 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.17 173.14 14.56 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.02 101.52 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.634 0.217 . . . . 0.0 110.918 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 m-20 65.68 20.31 11.53 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.545 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 52.0 pttt -143.36 117.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.146 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -101.25 111.59 23.85 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -125.81 147.16 49.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.962 0.411 . . . . 0.0 110.625 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.685 HD12 HG13 ' A' ' 52' ' ' VAL . 50.9 mt -125.77 121.78 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.423 0.63 . . . . 0.0 110.308 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.35 -176.42 42.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.726 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.44 -25.65 25.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.06 0.43 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -142.33 145.06 33.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.46 -32.06 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.288 . . . . 0.0 110.994 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -67.04 -34.84 78.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -123.52 45.23 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.374 0.607 . . . . 0.0 110.734 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.48 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.464 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.61 -26.86 41.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.054 0.454 . . . . 0.0 110.525 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.68 130.46 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.293 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.54 144.27 34.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 111.101 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 60' ' ' VAL . 10.5 tt -131.31 125.58 57.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.876 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 12' ' ' LYS . 16.2 p -115.26 139.13 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.99 0.424 . . . . 0.0 111.777 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 37.2 p90 -124.47 125.53 44.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.154 178.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' A' ' 39' ' ' ASP . 34.8 mtm180 -109.4 132.33 54.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.935 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -78.3 100.29 6.66 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.01 -40.85 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.53 -84.18 0.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.591 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -118.22 -90.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.331 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -107.73 18.16 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 108.536 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.795 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 38.2 mt-10 -89.5 116.1 27.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.622 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 22.9 pt -102.9 123.93 56.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.586 -173.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 t-20 -93.81 111.84 23.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.16 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 27' ' ' THR . 70.2 mt -74.72 95.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 171.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 32.3 t70 -85.48 -29.63 24.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.71 -171.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 78.1 t60 -142.61 134.26 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.442 0.639 . . . . 0.0 111.485 -178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 25.6 m -144.9 105.04 4.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.889 171.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.52 138.24 13.16 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.114 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.94 121.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.261 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 15' ' ' ILE . 69.9 t . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.563 0.221 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.57 -38.6 96.65 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.359 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.81 -41.9 97.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.662 ' HG2' HD11 ' A' ' 6' ' ' ILE . 38.7 ttpt -71.35 -33.99 70.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.4 mt -62.25 -52.36 64.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.986 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.44 -38.33 86.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.894 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -56.9 -46.15 82.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.185 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.92 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.437 HG21 HD13 ' A' ' 26' ' ' ILE . 68.6 t -61.94 -52.2 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.85 -40.18 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.5 -47.09 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.77 -30.36 70.56 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.098 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -65.56 -50.53 64.83 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.41 175.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -61.53 -38.57 87.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.644 0.259 . . . . 0.0 110.416 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.61 -45.51 66.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.573 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.58 6.54 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.506 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 52.82 65.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.69 0.757 . . . . 0.0 110.117 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 64' ' ' ALA . 91.3 mt -94.87 150.98 19.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.051 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.795 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 50.2 mtpt -101.94 115.75 31.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.06 131.87 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.0 111.996 -173.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 20.4 pt -134.37 144.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.026 170.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.62 142.4 50.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.288 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.726 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 16.4 p -103.86 -38.23 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 11.8 m -62.93 119.54 9.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.219 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -57.27 -42.14 81.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.602 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.536 ' O ' ' HG3' ' A' ' 81' ' ' MET . 83.7 t80 -57.58 -56.53 20.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.789 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 41' ' ' THR . . . -66.45 -35.19 79.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -57.66 -50.34 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.812 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 80.5 m-70 -71.17 -15.64 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -177.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 93.3 mtp -72.36 -44.44 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 175.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.93 -39.58 61.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.339 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 40.5 tt0 -64.35 -28.9 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -71.02 -43.68 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.392 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -92.03 127.84 37.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.301 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.9 -38.28 81.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.479 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 t -71.19 -24.94 62.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.831 0.348 . . . . 0.0 111.61 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -84.93 -14.61 47.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.685 0.279 . . . . 0.0 111.082 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -84.65 3.21 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.85 -41.12 16.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.4 -26.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.67 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -82.99 139.33 33.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 70' ' ' LYS . 10.3 mp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.259 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -86.36 95.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.07 156.84 26.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -112.42 146.73 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.481 0.658 . . . . 0.0 111.744 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.24 -174.1 13.22 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -69.88 105.33 2.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.242 0.521 . . . . 0.0 110.659 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 63.1 30.19 16.16 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.683 0.614 . . . . 0.0 111.375 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 27' ' ' THR . 56.4 pttt -159.25 165.27 33.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 112.04 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -131.01 149.38 52.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 32.9 p90 -151.22 142.63 23.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.245 0.545 . . . . 0.0 111.229 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.781 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 55.5 mt -110.95 123.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.266 174.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.76 173.86 36.21 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.95 -48.66 73.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.7 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.08 -175.38 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.591 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -67.78 -18.28 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.833 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -132.1 60.04 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.85 92.85 8.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.55 -13.86 50.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 0.0 110.32 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.781 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -132.3 97.9 4.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.771 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -113.83 135.59 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.897 -173.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 56' ' ' LEU . 14.5 tt -151.4 127.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.962 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 12' ' ' LYS . 21.6 p -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.477 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 36.3 p90 -146.71 138.1 24.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 19.2 ttt180 -142.24 149.72 39.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.009 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -76.45 118.96 19.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.67 -41.06 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -161.52 98.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 67.65 -76.2 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.879 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 22.2 t-20 -116.67 -23.46 8.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 111.38 -172.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 23.0 mp0 -75.69 121.48 22.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.3 pt -112.29 128.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.894 175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.626 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.7 p-10 -101.46 135.95 42.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.912 0.387 . . . . 0.0 110.504 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.5 mp -83.36 109.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 13.5 t70 -68.53 -57.81 5.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.249 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -151.48 151.16 31.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.421 . . . . 0.0 111.01 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -116.1 110.74 19.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.919 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.96 81.31 0.3 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.341 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -93.24 125.54 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 0.0 111.084 -177.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.078 0.466 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.66 87.83 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 87.5 tttt -67.78 -36.58 80.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.304 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -74.0 -30.08 62.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.73 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.669 HD11 ' HB1' ' A' ' 24' ' ' ALA . 59.6 mt -64.68 -50.85 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.156 0.503 . . . . 0.0 109.787 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.513 HD22 ' HE2' ' A' ' 81' ' ' MET . 38.5 tp -64.34 -31.89 73.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.342 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -54.74 -48.56 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.28 98.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.83 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.34 -47.56 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.575 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 88' ' ' TYR . 64.5 t -62.48 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.459 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.02 -42.95 89.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 66' ' ' GLU . 69.6 t60 -72.89 -24.85 60.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.096 0.474 . . . . 0.0 110.462 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.23 53.26 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 175.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.71 -42.43 93.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 63' ' ' HIS . 24.2 tt0 -50.08 -47.91 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.632 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -107.23 7.25 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.907 -174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 56.55 61.7 2.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -107.2 158.05 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 35' ' ' GLU . 30.2 mmtp -92.4 116.59 29.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.929 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 91' ' ' VAL . 20.8 mt -92.19 112.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.298 178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 5.3 pt -125.97 119.18 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.085 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.31 122.97 35.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.086 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.2 m -74.78 -37.46 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.511 . . . . 0.0 109.665 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.9 p -79.22 131.69 36.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.585 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 p -67.58 -29.62 69.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.028 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.44 -48.58 80.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.998 0.428 . . . . 0.0 110.627 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.44 85.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 36.0 ttmt -64.38 -38.88 92.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.63 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.482 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.513 ' HE2' HD22 ' A' ' 57' ' ' LEU . 35.0 ttp -73.69 -31.29 63.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.577 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 HD21 ' A' ' 57' ' ' LEU . 81.3 mt -66.76 -36.83 83.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.753 174.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.3 mt-10 -82.12 -16.28 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.635 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -39.64 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.898 -173.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.77 169.61 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.981 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.19 -24.4 27.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.249 -169.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 t -66.41 -4.36 8.01 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.142 -175.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 54' ' ' LYS . 35.3 m-85 -96.78 -7.39 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.278 -0.264 . . . . 0.0 111.599 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.497 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 51.9 tt0 -69.48 -15.32 63.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.75 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -35.41 72.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 177.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 71' ' ' ILE . 18.9 m -118.91 4.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.234 0.54 . . . . 0.0 111.153 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 52.0 t80 -104.57 139.49 39.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.496 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 -177.288 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.17 0.51 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.412 HG12 ' CG1' ' A' ' 15' ' ' ILE . 47.7 mt -92.16 108.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.445 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -91.87 146.11 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.888 0.375 . . . . 0.0 110.158 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.73 128.88 47.85 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.385 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.02 -164.77 12.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 173.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.78 99.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.261 0.531 . . . . 0.0 110.776 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m120 60.36 16.8 6.56 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.374 0.421 . . . . 0.0 111.847 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 27' ' ' THR . 7.5 ptpp? -129.19 139.37 51.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.959 0.409 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.27 114.86 27.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -121.32 127.79 51.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.667 0.746 . . . . 0.0 111.309 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.661 HD12 HG13 ' A' ' 52' ' ' VAL . 49.9 mt -93.11 128.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.689 175.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.17 -146.08 13.07 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.16 -35.8 0.93 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.193 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.462 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 19.4 t70 -122.77 168.58 12.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.78 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.036 0.446 . . . . 0.0 109.838 176.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.24 -33.2 24.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.436 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 93.6 m-20 -88.52 37.04 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.534 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.32 109.48 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.618 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.06 -21.39 29.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.247 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.705 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.2 106.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.46 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.26 0.552 . . . . 0.0 110.346 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 17.3 tt -122.27 124.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.788 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 12' ' ' LYS . 40.5 p -108.32 139.87 42.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 34.9 p90 -129.35 127.31 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 7.2 tpt180 -114.55 168.12 10.14 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.23 111.06 23.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.662 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -87.25 -23.01 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.77 0.795 . . . . 0.0 108.883 171.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.4 t70 -140.36 164.7 29.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.094 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.96 -24.85 67.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.682 0.277 . . . . 0.0 110.947 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 14.6 m120 -127.31 17.79 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.542 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.5 mt-10 -135.38 122.18 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.07 150.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.571 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.8 p-10 -121.75 139.27 53.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.994 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -87.07 105.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -70.03 -65.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.657 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.606 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 65.9 t60 -127.67 130.85 49.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.354 -173.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 m -121.7 97.69 5.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.465 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -106.95 98.88 1.36 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.221 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.522 HG22 ' HB1' ' A' ' 24' ' ' ALA . 28.2 t -116.64 124.58 72.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 175.705 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 15' ' ' ILE . 53.6 t . . . . . 0 C--O 1.235 0.301 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.41 91.03 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.801 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -76.4 -25.57 54.68 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.656 -0.32 . . . . 0.0 111.037 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.55 -46.19 87.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 15' ' ' ILE . 97.5 mt -60.98 -49.25 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.838 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.1 -44.1 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.623 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -57.37 -42.87 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.435 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.71 88.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.83 -48.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 71' ' ' ILE . 98.3 t -62.54 -38.93 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.35 -48.36 80.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.199 0.523 . . . . 0.0 109.979 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -69.02 -26.61 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -54.26 19.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -62.41 -35.19 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 109.829 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -53.35 -47.69 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.957 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -106.2 9.13 32.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.417 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.6 t30 59.36 69.9 0.68 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 110.158 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 64.3 mt -121.35 139.5 53.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.533 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.907 ' HD3' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -85.87 145.53 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 174.537 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 61' ' ' VAL . 68.3 mt -113.78 120.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.321 0.582 . . . . 0.0 112.373 -174.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -127.23 149.66 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.063 168.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.81 135.28 50.81 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.124 -0.36 . . . . 0.0 111.221 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -85.08 -42.83 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.412 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 87.0 m -63.59 125.17 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -59.17 -38.13 79.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.371 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.61 -40.43 94.79 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.033 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.26 -41.95 16.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -58.79 -49.93 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.542 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -16.3 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.12 -40.03 71.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -77.38 -23.85 50.67 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.83 0.347 . . . . 0.0 110.597 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -63.17 -39.74 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.518 . . . . 0.0 109.803 173.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -79.26 -48.9 13.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.59 97.37 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.61 -19.26 65.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.456 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.6 m -66.08 -23.47 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.8 8.5 41.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -65.92 -25.09 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 110.572 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -48.32 73.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.472 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 m -85.14 -21.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.59 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -78.59 141.99 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.182 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.231 178.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.19 109.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -79.44 115.8 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.842 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -90.86 122.82 33.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.73 -165.6 11.8 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.059 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.2 mp0 -60.22 95.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.704 0.402 . . . . 0.0 110.762 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 57.12 23.08 8.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.845 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 25.2 pttm -142.64 144.4 32.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.295 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -113.74 128.36 56.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -142.12 156.13 45.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.704 -175.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD21 ' A' ' 56' ' ' LEU . 57.6 mt -129.8 128.16 64.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.621 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.93 -170.31 42.07 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.683 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.92 -30.01 21.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.142 0.496 . . . . 0.0 110.279 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -160.97 161.05 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -15.36 63.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.421 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -73.44 -15.7 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 110.536 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -161.88 78.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.549 . . . . 0.0 110.015 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.53 149.99 28.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.106 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.88 -24.47 38.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -163.07 126.81 2.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.225 177.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -128.59 127.34 42.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.289 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.92 125.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 59.0 p -109.29 137.46 47.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.707 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.15 147.21 45.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG3' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -154.05 150.29 28.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -82.67 121.02 26.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.502 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 8.0 m -85.79 -41.93 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.636 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . 22.7 m-20 -144.73 -83.4 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -105.39 -80.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.529 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.85 4.6 14.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.434 0.635 . . . . 0.0 109.467 -177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 4.3 mp0 -89.82 117.53 28.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.415 -173.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.35 124.71 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.738 174.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' HG13 ' A' ' 72' ' ' ILE . 2.3 p-10 -102.37 135.14 44.51 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.335 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.22 96.56 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 23.2 t70 -53.78 -57.9 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.308 -174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 37.8 p-80 -150.45 146.26 26.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.855 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.53 HG22 HG23 ' A' ' 43' ' ' VAL . 3.1 m -112.98 85.61 2.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -76.97 82.8 1.08 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.023 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' THR . 61.0 t -109.25 132.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.185 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 HD12 ' A' ' 15' ' ' ILE . 48.5 t . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.37 43.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.561 -176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.81 -23.09 61.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.313 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -65.4 -51.85 57.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.094 0.474 . . . . 0.0 110.265 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 15' ' ' ILE . 97.3 mt -66.6 -38.63 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.202 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 56.9 tp -63.07 -42.32 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.559 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -57.36 -47.14 82.41 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.861 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.01 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.57 -44.32 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.395 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.0 t -62.95 -40.6 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.74 -45.05 95.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.652 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -65.67 -37.18 85.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.312 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.95 77.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 91' ' ' VAL . 45.7 ttp85 -60.93 -44.7 96.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 0.0 110.416 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.35 -46.41 86.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.697 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -92.14 3.24 55.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.512 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 58.73 70.37 0.66 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.841 0.829 . . . . 0.0 110.339 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -121.56 174.64 6.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.91 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.801 ' HD3' HD21 ' A' ' 93' ' ' LEU . 55.9 mttp -124.05 130.05 51.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 61' ' ' VAL . 59.0 mt -95.55 127.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.954 -176.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 37' ' ' ASN . 11.9 pt -120.39 132.51 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.722 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.08 115.61 27.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.388 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 m -88.67 -25.48 22.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 47.5 t -91.67 139.23 30.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.554 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 m -68.01 -31.03 70.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.311 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -64.67 -51.01 64.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.915 0.388 . . . . 0.0 110.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.71 84.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.68 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -56.51 -51.43 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.689 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -69.02 -16.05 63.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mtm -84.91 -49.49 8.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.062 0.458 . . . . 0.0 110.252 175.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 57' ' ' LEU . 90.3 mt -73.53 -39.24 64.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.722 -175.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -67.38 -29.65 69.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.927 0.394 . . . . 0.0 111.627 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -97.94 -32.98 11.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.46 124.62 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.997 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.19 -16.11 61.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.607 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -63.51 -29.61 70.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.41 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -106.12 -8.39 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.684 0.278 . . . . 0.0 111.431 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HG2' ' HD2' ' A' ' 92' ' ' TYR . 36.3 mt-30 -82.48 74.97 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.535 0.683 . . . . 0.0 112.235 -174.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -141.9 -45.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.173 170.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 65' ' ' ARG . 29.6 m -97.02 4.9 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.161 174.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.514 ' HD2' ' HG2' ' A' ' 89' ' ' GLN . 59.9 t80 -102.03 138.5 38.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.913 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.801 HD21 ' HD3' ' A' ' 70' ' ' LYS . 86.8 mt . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.215 0.531 . . . . 0.0 110.942 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 121.133 0.492 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 66.3 mt -70.62 115.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.177 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -93.2 125.02 37.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.56 176.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -81.66 145.53 30.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.385 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.4 -166.78 13.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.512 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -64.94 99.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.76 0.28 . . . . 0.0 111.223 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.56 21.88 12.45 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.293 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 27' ' ' THR . 20.4 ptmt -145.87 150.93 37.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.173 0.511 . . . . 0.0 111.393 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 51.6 m-85 -122.59 119.09 29.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 171.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 33.8 p90 -128.76 131.78 47.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.681 0.753 . . . . 0.0 111.843 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 56' ' ' LEU . 71.8 mt -99.73 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.547 171.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.57 135.47 7.87 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 119.988 -1.101 . . . . 0.0 112.849 -176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.49 -32.13 70.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.993 0.901 . . . . 0.0 108.583 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.2 t70 -138.88 157.6 45.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.385 -1.279 . . . . 0.0 107.568 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.63 -20.38 58.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.232 0.469 . . . . 0.0 111.557 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -87.59 -21.35 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.307 0.575 . . . . 0.0 109.701 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 77.7 m-20 -115.05 46.25 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.169 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.52 100.47 0.67 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.528 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.15 -55.86 28.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -127.04 112.2 14.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 12.7 pt-20 -125.92 134.9 51.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 60' ' ' VAL . 17.0 tt -121.88 132.72 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.215 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 12' ' ' LYS . 68.7 p -118.38 141.12 48.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.613 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -143.93 149.38 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -126.59 153.99 44.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -89.0 102.81 15.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.737 174.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -75.08 -31.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.1 168.25 20.17 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -80.84 57.11 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.754 0.311 . . . . 0.0 110.223 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.85 -24.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 57.8 mt-10 -112.55 132.66 55.0 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.959 0.409 . . . . 0.0 110.608 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.5 142.13 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.303 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 21.7 p-10 -114.43 138.26 50.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 0.0 110.445 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 107.65 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.34 -44.0 59.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.614 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 72.1 t60 -159.34 146.34 16.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.157 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 m -139.32 100.64 4.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.035 0.445 . . . . 0.0 110.02 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.34 95.97 1.15 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.495 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.81 98.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.943 0.402 . . . . 0.0 110.725 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.334 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.363 0.601 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.23 -26.25 71.51 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.969 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.54 -37.22 82.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.543 0.211 . . . . 0.0 110.508 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' O ' HD11 ' A' ' 6' ' ' ILE . 7.5 mtpm? -60.22 -47.05 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 15' ' ' ILE . 84.4 mt -57.15 -60.83 3.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.655 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.04 -33.03 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.573 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 26.1 ttpp -56.94 -57.15 13.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.496 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.05 82.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 26' ' ' ILE . 93.7 t -63.01 -46.4 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.255 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 88' ' ' TYR . 81.9 t -67.51 -39.06 81.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.725 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 47.2 mt-10 -59.03 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.59 -32.22 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.87 82.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.16 -33.29 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.67 -51.77 52.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.268 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.586 ' HB3' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -93.99 4.78 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.78 -172.021 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 59.97 40.63 18.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.75 0.786 . . . . 0.0 110.135 -178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.586 ' HG ' ' HB3' ' A' ' 67' ' ' ASN . 79.8 mt -84.45 136.29 33.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.552 -178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 93' ' ' LEU . 48.5 mtmt -90.85 121.99 33.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.57 175.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.3 mt -91.83 114.75 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.877 -173.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 32.8 pt -115.03 160.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.78 137.29 51.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.265 -0.574 . . . . 0.0 112.052 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -91.8 -51.87 5.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 51.4 m -69.05 121.89 17.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 t -62.09 -28.74 69.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.126 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -58.32 -56.17 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.456 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.41 74.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.974 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.15 -35.45 80.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.065 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -68.99 -35.2 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.72 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.5 mtp -67.78 -45.92 73.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.57 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.62 -31.11 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.885 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.89 -49.43 70.52 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.991 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -107.41 153.31 22.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.143 0.497 . . . . 0.0 110.956 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.03 -7.74 59.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.893 -170.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 p -66.96 -51.88 49.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.444 -174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CD1' HG21 ' A' ' 61' ' ' VAL . 14.6 m-85 -92.24 -7.81 47.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -174.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 tt0 -70.5 -15.95 62.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.509 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.42 -55.11 37.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.888 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.7 m -102.51 13.73 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.482 . . . . 0.0 111.172 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 21.7 t80 -84.39 127.23 33.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HD2' ' A' ' 70' ' ' LYS . 74.8 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.527 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.63 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 37.1 mp0 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.157 0.503 . . . . 0.0 111.885 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.689 HD11 ' HG2' ' A' ' 55' ' ' LYS . 63.4 mt -75.39 108.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.118 173.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' A' ' 5' ' ' GLU . 32.3 mmtp -86.48 132.66 33.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.401 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.72 139.82 56.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.61 29.9 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.67 94.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.237 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.468 HD22 ' NH2' ' A' ' 29' ' ' ARG . 74.4 m-20 60.89 22.87 12.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.344 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.75 127.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.477 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -98.96 137.64 37.22 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -139.78 130.55 25.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.366 0.603 . . . . 0.0 111.704 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.704 HG13 HD21 ' A' ' 56' ' ' LEU . 63.4 mt -92.33 112.56 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.487 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.65 162.87 26.27 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -82.15 -16.14 50.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.15 0.5 . . . . 0.0 110.398 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -158.47 163.11 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.21 -26.39 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 118.087 0.403 . . . . 0.0 110.61 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -78.49 -7.6 57.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.541 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -127.12 25.23 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.277 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.41 99.64 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.887 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.53 -15.05 56.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.556 -176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -153.7 104.55 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -117.03 139.39 50.75 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.595 176.028 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -129.95 131.09 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.38 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.685 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 25.4 p -100.63 139.72 35.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -132.53 55.5 1.88 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.854 0.835 . . . . 0.0 108.804 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' NH2' HD22 ' A' ' 11' ' ' ASN . 3.7 mtp85 -77.11 154.93 32.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.203 -169.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 68.6 m-85 -83.43 112.05 19.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.922 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -83.68 -17.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.48 0.657 . . . . 0.0 109.233 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.604 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 6.6 t70 -150.46 -160.48 1.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.211 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.61 -41.64 53.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.933 0.333 . . . . 0.0 111.785 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -110.17 -25.95 9.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.738 0.78 . . . . 0.0 110.049 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.604 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 38.7 mp0 -84.42 102.69 12.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.242 -172.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 71' ' ' ILE . 35.6 pt -97.42 143.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.435 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -128.21 139.36 52.5 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.518 -177.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.685 ' HA ' ' O ' ' A' ' 27' ' ' THR . 4.1 mp -87.6 91.02 3.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.647 171.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.989 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 11.1 p-10 -89.61 -10.22 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.13 -174.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 66.1 t60 -147.22 135.56 21.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.42 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 m -136.27 92.92 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -102.93 62.8 0.45 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.618 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' HB1' ' A' ' 24' ' ' ALA . 98.7 t -102.8 118.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.669 0.271 . . . . 0.0 111.159 -175.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 m . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.815 173.221 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.95 -32.31 73.31 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.891 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 85' ' ' GLU . 51.6 tttp -67.28 -36.15 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG2' HD11 ' A' ' 6' ' ' ILE . 4.7 ttmp? -60.84 -48.3 82.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.344 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.704 HD21 HG13 ' A' ' 15' ' ' ILE . 78.5 mt -66.49 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.257 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.32 -36.74 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.53 -45.61 91.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.86 94.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.42 -51.9 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 89.0 t -61.39 -42.06 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 20.1 tt0 -64.25 -45.38 88.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.84 -176.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -72.84 -36.75 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.69 78.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.491 . . . . 0.0 110.213 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -62.68 -35.48 79.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.076 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.6 mt-10 -65.85 -53.01 45.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.746 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.553 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 10.3 m120 -85.25 2.69 42.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.082 -170.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.45 37.31 6.22 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.228 0.537 . . . . 0.0 110.374 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -88.36 169.96 11.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HD2' ' HG3' ' A' ' 35' ' ' GLU . 86.7 mttt -113.18 130.75 56.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 61' ' ' VAL . 50.4 mt -106.69 120.68 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.345 0.593 . . . . 0.0 111.93 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.9 pt -123.07 161.2 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.942 170.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.8 129.62 40.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.081 0.467 . . . . 0.0 111.675 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 34.2 t -85.62 -44.81 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.088 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 65.8 m -66.47 122.11 16.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.259 175.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 t -61.73 -30.18 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 81' ' ' MET . 64.6 t80 -59.33 -58.17 9.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.96 85.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 5.2 tmmm? -61.11 -40.74 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.875 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 49.1 t60 -75.42 -21.76 57.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.782 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 89.0 mtp -69.45 -34.69 74.78 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.33 -30.81 65.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.402 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 80' ' ' HIS . 45.4 mt-10 -70.84 -37.68 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -57.28 -52.28 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.808 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 11.6 tt0 -114.75 117.19 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -168.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -74.26 0.62 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.048 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 t -82.75 -4.5 58.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.425 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 78.5 m-85 -102.59 9.07 39.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.438 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -77.52 2.0 17.68 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -67.18 -58.26 5.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.12 -3.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.315 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 64.3 t80 -83.66 114.13 21.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.421 HD11 ' HD3' ' A' ' 70' ' ' LYS . 91.8 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -176.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p 49.79 64.64 1.69 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.451 0.7 . . . . 0.0 111.288 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -130.46 72.26 1.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.152 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 tp -135.89 13.35 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.293 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.16 161.74 29.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.639 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.15 120.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.89 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.42 124.39 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.724 0.297 . . . . 0.0 110.498 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -87.88 116.17 25.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.8 -168.33 13.56 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.26 94.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.447 0.299 . . . . 0.0 111.109 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 55.65 26.71 9.59 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.224 0.535 . . . . 0.0 111.144 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.01 141.15 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.355 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -120.05 124.77 46.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . 48.2 p90 -133.02 142.36 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.336 0.589 . . . . 0.0 111.932 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.31 119.18 59.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.523 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.94 -173.08 42.84 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 22.3 m-20 -74.48 -49.52 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.74 -164.39 2.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.17 -35.49 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -80.67 -39.13 27.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . 6.2 m-20 -88.1 31.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.253 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 92.66 4.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.54 -31.85 62.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.985 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -145.72 114.36 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 14' ' ' TYR . 1.1 pp20? -137.28 155.11 49.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.934 0.397 . . . . 0.0 111.116 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 60' ' ' VAL . 15.9 tt -139.72 141.95 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.657 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 39' ' ' ASP . 81.0 p -123.56 146.89 47.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.662 0.268 . . . . 0.0 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 31.9 p90 -144.74 138.1 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 37' ' ' ASN . 9.1 ptp180 -128.98 154.99 46.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -83.39 100.45 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.64 -38.86 46.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.772 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -125.45 -79.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.262 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.6 -86.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.495 0.188 . . . . 0.0 110.841 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -88.43 -1.18 57.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.246 0.546 . . . . 0.0 110.14 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -88.36 119.97 29.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 pt -117.68 146.56 21.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.822 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 26.5 p-10 -118.15 142.06 47.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.277 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.1 mt -75.49 98.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 12.1 t70 -66.16 -54.92 19.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.087 -172.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -144.03 143.5 31.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -129.07 90.16 2.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.921 0.391 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.78 71.88 2.7 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.664 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.591 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.4 t -112.49 119.2 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -74.62 127.14 32.37 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.35 109.32 16.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.414 0.626 . . . . 0.0 110.244 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.66 -60.42 2.26 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.467 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.94 19.17 2.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.42 4.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.138 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.15 -26.16 72.4 Favored Glycine 0 C--N 1.331 0.262 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -99.85 21.39 12.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.333 0.587 . . . . 0.0 109.93 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.32 102.12 1.93 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.841 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -62.77 -17.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.422 . . . . 0.0 111.103 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.32 58.48 Favored Glycine 0 C--O 1.225 -0.427 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.132 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -63.36 -37.8 88.68 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 117.071 0.436 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.9 -39.68 87.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.964 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.08 -46.31 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.661 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -57.23 -45.65 83.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.229 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -55.91 -48.77 75.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.894 0.378 . . . . 0.0 110.198 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.76 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.467 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 26' ' ' ILE . 99.3 t -64.38 -50.07 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.386 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 88' ' ' TYR . 96.5 t -63.54 -41.93 94.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 110.853 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.66 -48.24 82.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.128 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -64.23 -42.7 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.158 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.41 90.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.063 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -58.32 -47.14 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.498 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.12 -18.8 62.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -101.26 1.83 39.24 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.242 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -86.54 144.56 27.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -100.89 128.66 46.83 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.479 HD12 HG21 ' A' ' 91' ' ' VAL . 52.9 mt -104.01 118.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.473 0.654 . . . . 0.0 112.136 -174.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -116.66 175.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.92 131.83 26.01 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.173 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 m -89.89 -18.97 25.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.04 128.81 42.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.389 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 p -61.83 -33.55 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.513 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -55.18 -54.21 46.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.69 75.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.03 -43.94 91.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.459 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -78.03 -28.28 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.457 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 66.8 mtm -68.76 -45.99 69.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.732 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.39 -21.56 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.565 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.0 -43.06 88.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.043 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.98 -18.76 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.506 -177.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.28 92.74 6.9 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 -174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.05 -6.09 39.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 m -70.0 -20.59 63.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 61' ' ' VAL . 29.3 m-85 -109.91 25.37 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.74 -8.38 42.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.875 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.71 -53.0 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.19 0.519 . . . . 0.0 110.909 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 71' ' ' ILE . 27.8 m -102.42 -12.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.882 -172.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -87.24 125.8 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.34 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.05 -153.9 38.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.385 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -155.89 138.95 15.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.78 0.324 . . . . 0.0 110.156 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' OE1' ' HB2' ' A' ' 100' ' ' HIS . 1.4 tm-20 -150.97 147.38 27.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -97.66 24.75 6.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.378 0.609 . . . . 0.0 110.604 -173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 69.33 16.05 8.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.527 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -96.01 60.43 2.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' HB2' ' OE1' ' A' ' 96' ' ' GLU . 59.0 t60 -123.96 65.49 1.05 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.555 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -75.66 -34.92 60.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 C--O 1.24 0.575 0 CA-C-N 113.782 -1.553 . . . . 0.0 108.264 164.027 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.019 0.437 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -166.94 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.262 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 61.96 17.6 9.13 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.963 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.5 HD22 HG22 ' A' ' 52' ' ' VAL . 71.3 mt -85.35 39.25 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 0.0 109.549 177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.566 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 13.6 tt0 -85.24 125.27 32.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.851 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HG2' ' A' ' 55' ' ' LYS . 58.3 mt -82.82 125.7 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.109 0.481 . . . . 0.0 111.412 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HE3' ' OE2' ' A' ' 5' ' ' GLU . 22.0 mmtp -99.44 139.49 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 171.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -107.79 144.83 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.466 0.651 . . . . 0.0 112.004 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.84 -176.98 15.71 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.15 112.98 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.505 0.652 . . . . 0.0 110.415 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.7 m120 67.31 15.21 9.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.067 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB3' HG22 ' A' ' 27' ' ' THR . 18.5 ptpt -147.08 144.99 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.197 0.523 . . . . 0.0 111.995 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -125.16 128.0 47.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 28.6 p90 -133.55 129.23 36.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.406 0.622 . . . . 0.0 111.408 -175.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 56' ' ' LEU . 68.1 mt -89.64 116.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.36 174.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.66 173.46 35.78 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.65 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -76.97 -49.61 15.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.43 168.12 13.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.855 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.25 -30.6 69.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -87.35 10.91 15.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.664 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -149.86 68.64 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.406 0.622 . . . . 0.0 109.823 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.0 124.36 49.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.116 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.49 -23.22 21.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.344 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -145.98 102.49 3.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.604 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.7 120.66 38.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.91 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.9 135.34 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.5 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.546 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 62.0 p -117.44 157.06 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.87 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 40.9 p90 -152.69 141.98 21.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 110.327 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.518 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 51.6 ttp85 -128.32 150.83 49.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.95 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.58 98.77 10.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 72' ' ' ILE . 8.2 m -76.37 -38.94 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -151.82 78.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.17 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.453 1.096 . . . . 0.0 112.785 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 6.29 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.963 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -124.57 122.03 36.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.115 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 pt -118.17 133.29 65.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.146 0.498 . . . . 0.0 111.129 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.518 ' OD1' ' HB3' ' A' ' 29' ' ' ARG . 1.6 p-10 -100.38 143.94 29.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 75' ' ' CYS . 3.4 mp -112.6 106.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -96.06 -52.35 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.761 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.546 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 58.4 t60 -103.89 125.94 50.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.429 0.633 . . . . 0.0 111.176 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -144.5 101.51 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.132 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.69 99.97 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.664 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 59.4 t -119.49 127.52 75.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 m -71.43 130.47 41.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.89 6.62 16.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -26.32 67.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.294 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.75 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.698 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.52 -17.64 28.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.45 -155.58 6.49 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 69.84 140.69 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.497 0.665 . . . . 0.0 111.489 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.18 47.52 3.4 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.198 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.5 HG22 HD22 ' A' ' 4' ' ' LEU . 21.2 t -64.85 -55.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.603 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.7 -47.28 88.06 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.703 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 6' ' ' ILE . 40.8 ttmt -68.23 -45.83 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.937 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 15' ' ' ILE . 85.6 mt -66.24 -45.84 79.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.471 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -58.73 -49.2 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -59.53 -37.86 79.48 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.76 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.7 93.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 92.3 t -72.01 -39.92 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 57' ' ' LEU . 89.2 t -69.52 -35.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.58 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 44.6 tt0 -60.57 -49.69 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 15.1 t-80 -50.92 -45.3 60.37 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.583 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 -39.41 79.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -68.01 -41.32 82.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 -178.023 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -56.23 -53.36 58.07 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.096 0.474 . . . . 0.0 111.155 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 80.5 m-20 -101.08 10.25 41.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.398 -172.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.61 49.05 21.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.34 0.59 . . . . 0.0 111.227 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 76.3 mt -89.12 137.95 31.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.26 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.621 ' HD3' HD11 ' A' ' 93' ' ' LEU . 63.2 mttp -81.5 140.52 34.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.996 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.494 HG23 HD13 ' A' ' 38' ' ' ILE . 70.2 mt -111.93 126.35 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.262 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 31' ' ' VAL . 20.3 pt -123.41 129.58 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.784 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.32 134.61 50.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.935 0.397 . . . . 0.0 111.479 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.622 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 31.8 t -111.68 -5.49 14.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.598 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 4.6 p -97.23 117.11 30.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.43 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.0 t -57.84 -33.99 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.569 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.79 -51.69 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.546 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -75.53 -38.71 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.8 -42.98 72.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.546 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 25.5 m80 -65.55 -27.53 68.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.69 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.6 mtm -84.96 -28.81 25.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 93.2 mt -71.32 -41.59 69.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.78 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.96 -18.39 56.06 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 110.767 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 64.0 tttm -69.91 -46.27 65.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.594 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 30.3 tt0 -111.45 150.68 29.51 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.114 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -81.55 -10.75 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.869 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.409 ' H ' ' HG2' ' A' ' 85' ' ' GLU . 5.2 m -74.46 -7.52 53.26 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 21.6 m-85 -115.03 -13.85 11.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.626 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.98 -8.34 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -166.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.97 -44.38 63.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.79 -24.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.895 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -76.85 123.89 26.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.621 HD11 ' HD3' ' A' ' 70' ' ' LYS . 83.1 mt -94.61 -138.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 174.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 55.57 46.07 82.59 Favored Glycine 0 C--O 1.236 0.24 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.028 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.75 -49.16 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.828 0.347 . . . . 0.0 110.649 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.501 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -82.11 76.35 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -85.95 62.96 7.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.437 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -177.7 170.71 1.95 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.828 0.851 . . . . 0.0 108.864 174.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -89.88 3.92 51.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.703 0.287 . . . . 0.0 110.717 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -157.36 -54.63 0.08 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.911 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.4 t60 . . . . . 0 C--O 1.242 0.663 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -54.39 114.63 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.516 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -160.16 151.2 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.97 65.76 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.376 0.607 . . . . 0.0 111.042 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -91.15 153.55 19.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.283 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.99 96.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.52 128.75 33.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.108 0.48 . . . . 0.0 109.925 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -96.88 121.99 39.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.693 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.32 -179.13 17.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.78 115.57 13.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 117.343 0.571 . . . . 0.0 110.485 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 65.38 19.16 11.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.682 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 27' ' ' THR . 57.3 pttt -153.49 143.66 22.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.344 0.592 . . . . 0.0 112.216 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.7 127.83 53.94 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -134.09 140.17 46.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.203 0.525 . . . . 0.0 111.237 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 56' ' ' LEU . 69.5 mt -114.57 117.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.065 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.78 163.7 30.89 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -71.85 -40.59 68.91 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.897 0.379 . . . . 0.0 110.125 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -122.11 161.8 22.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.81 -27.54 62.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 110.604 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -77.52 -35.01 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.291 0.567 . . . . 0.0 109.95 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -105.75 49.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.956 0.884 . . . . 0.0 109.615 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.2 117.16 14.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.693 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.53 -33.85 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.15 131.1 10.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.73 142.19 50.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.041 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 38' ' ' ILE . 14.8 tt -124.6 128.37 73.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.5 p -109.25 138.82 45.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 12.1 p90 -145.3 141.84 28.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.415 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 29' ' ' ARG . 10.0 ptm85 -136.04 137.7 41.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -176.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.08 96.87 2.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.921 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 72' ' ' ILE . 30.2 m -81.86 -26.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -141.7 -159.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.841 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.83 -57.42 12.12 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.266 0.354 . . . . 0.0 111.951 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -127.99 5.66 5.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.39 120.19 30.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.367 . . . . 0.0 110.736 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 pt -108.81 135.25 48.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.099 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 23.2 t-20 -109.17 126.34 53.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.054 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.477 HD13 HD11 ' A' ' 26' ' ' ILE . 70.8 mt -96.39 102.37 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 3.9 p-10 -78.29 -34.91 48.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.813 -174.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 28.4 p-80 -155.14 153.3 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.36 0.6 . . . . 0.0 111.228 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 43' ' ' VAL . 7.7 m -128.74 96.41 4.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.003 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -79.08 81.41 1.42 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.05 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.482 HG23 HG22 ' A' ' 41' ' ' THR . 48.2 t -100.2 112.92 34.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.702 0.287 . . . . 0.0 110.452 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -77.48 129.61 35.93 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.04 25.29 0.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.901 0.382 . . . . 0.0 111.564 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.67 -30.02 70.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.156 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.906 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.0 mm? -82.59 -4.87 58.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.191 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.59 -104.38 1.06 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.754 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.36 -8.01 63.09 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.875 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.906 ' HB2' ' HB3' ' A' ' 47' ' ' LEU . 48.8 mt-30 -73.38 110.35 7.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.362 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.92 68.57 3.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.142 -175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.17 -39.33 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.197 0.522 . . . . 0.0 110.041 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.11 -24.38 75.91 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.036 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -69.83 -37.93 76.38 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -64.23 -37.75 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.195 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 15' ' ' ILE . 81.6 mt -65.23 -48.38 73.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.68 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.1 -44.22 87.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.835 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -56.78 -45.06 82.37 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.75 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.08 99.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.21 -48.82 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.578 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 88' ' ' TYR . 99.5 t -63.34 -41.96 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.057 0.455 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.8 tt0 -62.05 -45.18 94.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 19.9 t60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.48 -43.36 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.297 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -62.81 -35.94 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.775 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.1 mt-10 -60.07 -44.52 94.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.13 0.49 . . . . 0.0 110.468 176.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -102.32 14.5 31.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.365 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.0 m120 62.22 29.18 17.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.021 0.439 . . . . 0.0 111.407 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 64' ' ' ALA . 83.2 mt -78.47 156.23 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 3.6 mptp? -107.94 137.61 45.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.343 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.19 123.62 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 111.626 -172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.5 pt -125.5 136.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.014 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.81 123.83 24.16 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.235 -174.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 3.2 p -87.6 -22.57 24.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.228 0.537 . . . . 0.0 110.268 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.1 t -67.81 108.97 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.785 175.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 m -58.23 -35.81 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.668 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.1 -57.19 13.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.951 0.405 . . . . 0.0 110.861 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.4 84.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -58.0 -45.55 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.045 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -73.07 -17.54 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.135 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.6 mtm -81.6 -35.08 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.32 -34.58 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 109.573 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -70.58 -16.67 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -72.92 -59.63 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.07 145.42 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 111.833 -170.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.652 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 2.9 m-20 -75.3 -4.34 38.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.758 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.5 t -63.1 -23.38 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 0.0 110.036 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CD2' HG11 ' A' ' 61' ' ' VAL . 2.2 m-85 -112.1 9.08 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.366 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.652 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 6.3 tp60 -79.58 -19.14 50.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.218 -170.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.61 -17.61 25.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.814 -0.553 . . . . 0.0 111.313 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 61' ' ' VAL . 15.6 m -101.61 -38.15 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.07 142.51 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.68 81.4 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.074 0.464 . . . . 0.0 109.775 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.9 70.57 0.3 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.217 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.1 tp -126.46 101.44 6.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.56 133.57 51.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.214 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -72.77 93.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.828 0.823 . . . . 0.0 109.544 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -109.89 5.02 22.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.342 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -81.05 85.84 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.635 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -150.94 146.37 26.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -123.43 118.72 28.09 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.027 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.236 172.282 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m 62.95 43.0 7.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.742 0.782 . . . . 0.0 109.236 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -81.12 128.89 34.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.7 mm? -92.76 30.07 1.64 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.542 0.686 . . . . 0.0 109.39 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.43 140.66 46.68 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.283 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.498 HD11 ' HG3' ' A' ' 55' ' ' LYS . 61.7 mt -83.56 106.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.244 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.08 117.0 18.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -96.09 141.9 28.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.258 0.551 . . . . 0.0 111.049 -175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.29 -171.28 14.17 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.923 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.39 109.47 6.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.049 0.425 . . . . 0.0 110.662 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 71.73 4.77 5.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.629 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.53 137.75 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.396 0.617 . . . . 0.0 112.151 -175.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -122.05 111.41 16.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 28.3 p90 -126.35 127.35 45.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.535 0.683 . . . . 0.0 111.935 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.87 118.61 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.361 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 177.58 175.67 44.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.75 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.33 -10.81 29.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.309 0.576 . . . . 0.0 110.108 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -156.48 167.54 30.13 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.48 -31.93 72.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.549 . . . . 0.0 110.057 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.29 -24.18 27.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.056 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -108.2 49.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.92 0.866 . . . . 0.0 109.156 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -95.61 112.16 23.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.431 175.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.7 -8.19 54.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -154.95 89.37 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 178.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 14' ' ' TYR . 49.0 tt0 -114.14 118.11 33.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 38' ' ' ILE . 20.2 tt -115.78 131.14 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.093 0.473 . . . . 0.0 110.17 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 82.6 p -125.72 140.63 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -122.46 132.88 54.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.934 0.397 . . . . 0.0 110.142 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 14.2 ptm180 -122.32 144.17 49.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.275 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.88 136.77 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.238 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 72' ' ' ILE . 10.6 m -110.98 -48.66 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.214 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.62 -91.21 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -128.22 -77.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -95.94 8.45 43.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -108.6 123.68 49.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -111.98 129.34 67.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.364 0.602 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.0 t-20 -96.71 128.93 44.13 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.134 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 26' ' ' ILE . 54.4 mt -103.14 98.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -97.06 -22.03 17.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 25.7 t60 -124.58 113.95 18.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.596 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.599 HG21 ' HB2' ' A' ' 78' ' ' ALA . 23.7 m -138.87 90.93 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.486 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.85 74.68 2.17 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.406 -175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 HG22 ' A' ' 41' ' ' THR . 77.2 t -94.82 124.76 47.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -71.48 173.12 8.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.03 33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 48' ' ' GLY . 6.0 mm-40 -89.9 66.37 6.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.36 0.6 . . . . 0.0 110.367 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.447 HD23 ' HG3' ' A' ' 50' ' ' GLN . 12.4 tp 73.34 -22.17 0.24 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.719 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 46' ' ' GLU . . . 83.74 -118.04 4.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.6 174.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.83 4.2 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.71 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HG3' HD23 ' A' ' 47' ' ' LEU . 16.3 tm0? -95.21 -57.76 2.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.4 -47.21 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.61 -45.06 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.682 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.14 -41.13 99.37 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.374 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -73.08 -28.45 62.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.703 0.287 . . . . 0.0 110.943 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 6' ' ' ILE . 48.9 tptt -58.1 -46.6 85.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.942 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' A' ' 24' ' ' ALA . 71.7 mt -61.97 -53.66 52.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.923 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.8 mp -58.02 -42.18 84.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.991 -175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.44 -40.25 93.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.442 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.23 79.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 26' ' ' ILE . 76.0 t -72.77 -44.64 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.635 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 57' ' ' LEU . 83.2 t -59.17 -35.96 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -56.32 -52.18 65.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.447 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -72.39 -31.13 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -65.1 -60.39 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 90' ' ' ASP . 39.1 ttm180 -57.68 -36.81 72.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -55.47 -45.66 76.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.591 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 82.2 m-20 -97.94 6.44 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.21 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.86 17.98 10.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.729 0.776 . . . . 0.0 110.529 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -68.88 142.22 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.852 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -111.71 138.05 48.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.676 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.0 mt -97.84 125.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.16 0.505 . . . . 0.0 112.131 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 10.1 pt -121.55 99.08 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.09 169.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.474 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . -87.78 135.22 33.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -174.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -103.09 -12.15 17.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.667 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 6.4 p -73.19 106.79 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.702 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -59.14 -35.02 72.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.36 -47.53 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.809 0.338 . . . . 0.0 111.27 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.645 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -80.14 -36.85 34.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.432 -176.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 63.2 tttm -62.27 -32.02 72.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.472 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -68.25 -18.42 64.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.667 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.4 mtt -74.96 -39.74 61.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 88' ' ' TYR . 28.5 mt -66.44 -36.69 83.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.053 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 31.3 mm-40 -60.51 -36.58 78.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -93.13 -57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 20.7 tt0 -77.95 107.81 10.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.586 0.708 . . . . 0.0 110.458 -175.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.37 -29.58 67.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.034 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.7 m -58.74 -23.63 60.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 20.5 m-85 -81.65 -13.49 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.679 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 42.6 mt-30 -80.22 9.19 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.141 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' CG ' HH21 ' A' ' 65' ' ' ARG . 15.0 t70 -67.05 -42.4 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.629 0.728 . . . . 0.0 109.367 172.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -108.34 -20.46 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.679 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 63.1 t80 -77.01 136.0 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.583 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.43 88.5 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.123 0.487 . . . . 0.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.88 157.46 53.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.551 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 95' ' ' LEU . 5.7 mp -101.28 145.5 28.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -112.85 158.29 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.155 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -64.6 154.01 37.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.177 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -93.22 145.51 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.031 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -104.4 -48.14 3.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.939 0.399 . . . . 0.0 110.266 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -107.46 96.15 6.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.964 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -87.18 83.3 7.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.35 0.595 . . . . 0.0 111.182 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.092 178.662 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t 70.3 156.64 0.15 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.82 0.7 . . . . 0.0 110.988 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -140.04 12.75 2.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.018 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.439 ' HB3' ' H ' ' A' ' 5' ' ' GLU . 3.2 mm? -121.48 -151.72 0.49 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.022 -173.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' H ' ' HB3' ' A' ' 4' ' ' LEU . 16.8 mm-40 68.15 -178.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.611 -175.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.12 106.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -91.25 113.2 25.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -78.31 158.71 28.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 111.708 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.46 177.81 31.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 103.38 2.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.249 0.524 . . . . 0.0 110.698 -178.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 72.14 19.93 4.39 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.176 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.25 148.73 23.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.753 175.062 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -114.42 135.35 54.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 21.7 p90 -139.98 147.28 40.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HG13 ' A' ' 52' ' ' VAL . 29.1 mt -109.37 122.73 64.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.485 0.66 . . . . 0.0 110.084 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.92 -178.39 31.65 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.46 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.667 ' HB2' HD21 ' A' ' 21' ' ' ASN . 11.6 m-20 -69.58 -39.43 77.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.775 0.787 . . . . 0.0 111.316 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -150.67 -168.6 3.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -92.59 -12.11 32.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.811 0.338 . . . . 0.0 111.601 -176.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -86.09 -22.73 26.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.667 HD21 ' HB2' ' A' ' 17' ' ' ASP . 30.4 p-10 -125.43 27.23 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.158 0.504 . . . . 0.0 110.12 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 122.57 16.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.734 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.21 -25.56 55.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.419 . . . . 0.0 110.217 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -156.53 130.13 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.454 174.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -131.77 150.01 52.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.321 0.582 . . . . 0.0 110.92 177.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' A' ' 56' ' ' LEU . 16.0 tt -133.27 126.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.955 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 12' ' ' LYS . 14.2 p -105.65 139.76 39.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 14.0 p90 -154.96 144.57 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.9 148.07 29.41 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -77.06 104.47 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.415 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.76 -32.48 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -133.37 -82.43 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.632 0.253 . . . . 0.0 111.187 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -125.49 -64.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.056 0.455 . . . . 0.0 111.041 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -118.22 0.06 11.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.599 0.714 . . . . 0.0 109.829 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -85.17 121.86 28.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.382 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 71' ' ' ILE . 21.4 pt -121.39 125.11 73.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.335 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -106.22 138.05 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.037 0.446 . . . . 0.0 110.512 -179.406 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 27' ' ' THR . 71.5 mt -96.96 105.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.927 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.4 -53.82 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.516 -173.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -139.33 141.64 37.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -144.51 107.02 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.037 174.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -112.5 106.64 1.91 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.931 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.3 122.83 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -69.85 151.43 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -109.77 19.5 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.285 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.09 -26.2 64.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.44 10.09 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.77 58.38 13.28 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.566 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 115.61 2.76 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.842 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -127.92 154.32 45.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.781 0.324 . . . . 0.0 110.436 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.65 -0.92 81.89 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 15' ' ' ILE . 77.1 t -58.17 -40.82 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 123.457 0.703 . . . . 0.0 111.193 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.76 -55.7 20.95 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.312 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -67.6 -25.41 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.882 0.341 . . . . 0.0 111.469 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.46 -48.6 78.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.317 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD21 HG13 ' A' ' 15' ' ' ILE . 97.1 mt -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 81' ' ' MET . 9.2 mp -60.44 -47.47 85.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.495 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.05 -33.49 76.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.845 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.46 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.224 0.535 . . . . 0.0 110.709 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.09 -45.17 80.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.731 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' LEU . 60.5 t -63.24 -39.84 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.387 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.61 -40.67 97.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.124 0.488 . . . . 0.0 110.231 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -71.45 -27.77 63.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.177 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.66 -36.68 81.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.341 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -65.17 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.44 -65.71 0.65 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.059 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.34 16.05 26.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.1 71.16 0.6 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 74.4 mt -103.99 142.89 33.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.884 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -98.1 116.05 29.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.888 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 36' ' ' ILE . 55.7 mt -91.04 116.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.338 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 16.7 pt -121.97 123.01 68.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.049 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.22 115.55 28.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.792 0.33 . . . . 0.0 111.439 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -79.16 -36.28 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.95 122.6 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.39 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 p -58.91 -36.53 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.444 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 81' ' ' MET . 84.1 t80 -61.47 -56.21 22.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.209 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -60.17 -40.54 90.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.783 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 92.1 m-70 -85.04 -23.51 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.119 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.507 ' HB3' HD21 ' A' ' 57' ' ' LEU . 83.3 mmm -60.35 -55.45 33.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.71 -20.19 62.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.466 0.65 . . . . 0.0 110.336 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 33.1 tt0 -77.06 -26.86 54.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.385 -176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' LYS . 38.7 mmtm -93.4 2.22 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -117.74 106.79 13.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.744 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.33 -24.06 65.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.747 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -70.71 -13.69 62.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -103.27 -10.18 18.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.765 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 78.74 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.33 0.586 . . . . 0.0 110.602 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -164.39 -44.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.97 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 m -95.35 -15.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.712 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.21 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.04 89.58 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -90.9 74.86 1.66 Allowed Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.748 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.8 tp -171.0 162.07 7.1 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -77.34 172.88 12.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -79.06 80.03 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 122.384 1.088 . . . . 0.0 109.428 174.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.04 -0.92 43.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.413 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -90.39 120.81 31.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.958 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -84.93 -68.64 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.369 0.604 . . . . 0.0 109.791 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -146.25 -35.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.081 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.5 m80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.108 -0.949 . . . . 0.0 109.265 175.158 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m 66.38 -83.18 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.908 -173.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -159.58 25.31 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.692 0.282 . . . . 0.0 110.544 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.76 -3.26 58.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.11 112.95 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.115 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.557 HG12 HD11 ' A' ' 15' ' ' ILE . 62.9 mt -60.98 113.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 42.3 mmtm -95.67 141.81 28.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.257 0.551 . . . . 0.0 111.013 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.11 143.05 33.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.119 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 -167.69 11.55 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.93 98.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.851 0.325 . . . . 0.0 110.992 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.14 27.96 15.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.59 0.556 . . . . 0.0 111.335 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.554 ' HB3' HG22 ' A' ' 27' ' ' THR . 14.7 ptmm? -149.2 148.56 29.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.042 0.449 . . . . 0.0 111.337 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -118.8 137.72 53.19 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -138.68 138.11 37.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.378 0.609 . . . . 0.0 111.405 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.642 HG13 HD21 ' A' ' 56' ' ' LEU . 53.5 mt -119.69 137.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.352 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.07 -153.54 25.38 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.918 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.0 t70 -70.01 -52.05 27.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.006 0.431 . . . . 0.0 111.496 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -160.87 -177.66 6.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.9 -29.01 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.38 -33.29 63.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.334 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 47.0 m-80 -122.27 55.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.125 -177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.18 128.27 35.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 47' ' ' LEU . 92.3 mt -91.56 -19.12 23.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.104 0.478 . . . . 0.0 109.859 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.49 109.07 1.45 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.109 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.5 140.23 52.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.303 0.573 . . . . 0.0 110.964 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -130.73 133.37 63.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.055 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HB3' ' A' ' 12' ' ' LYS . 72.5 p -110.73 139.05 46.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 -178.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -133.27 103.74 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.717 0.77 . . . . 0.0 109.438 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -114.69 159.25 20.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.453 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -83.65 128.18 34.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG21 HD11 ' A' ' 72' ' ' ILE . 14.2 m -101.21 -13.57 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.827 0.822 . . . . 0.0 108.835 169.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.593 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.0 t70 -155.34 176.66 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.174 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.27 -31.97 72.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 3.4 p-10 -124.56 15.04 8.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 111.278 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 45.6 mt-10 -130.18 130.46 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.484 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.3 pt -122.39 153.97 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 7.7 p-10 -126.28 149.75 48.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.176 177.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.8 mp -100.13 110.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 9.6 m-20 -76.35 -65.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -116.13 137.74 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.363 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 17.2 m -140.19 88.67 2.23 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.756 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.77 74.65 0.23 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.831 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 ' HA2' ' A' ' 53' ' ' GLY . 61.2 t -94.83 102.85 14.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 m -64.05 126.93 29.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.227 0.537 . . . . 0.0 110.517 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -88.1 -4.11 58.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.99 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.67 -17.35 63.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.073 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 23' ' ' LEU . 88.9 mt -69.49 -9.78 55.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.95 -129.14 9.79 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.652 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.03 27.29 19.84 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.373 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -88.25 118.47 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.01 53.44 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.383 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 HD12 ' A' ' 15' ' ' ILE . 49.4 t -60.09 -41.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 -178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -60.34 -44.11 97.89 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.759 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 25.9 ttmt -65.86 -39.99 91.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.526 0.203 . . . . 0.0 111.228 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -42.63 87.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.015 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 15' ' ' ILE . 87.8 mt -65.21 -46.41 80.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 82' ' ' LEU . 51.2 tp -65.4 -35.34 80.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.82 -49.45 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.571 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.11 86.62 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.61 -46.51 94.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 88' ' ' TYR . 86.6 t -64.6 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.878 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.78 -43.81 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.359 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -63.7 -41.17 98.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.069 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.65 78.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -56.09 -48.62 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.31 -45.62 79.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.187 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -85.78 1.75 48.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.95 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 64.34 33.01 11.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 61.0 mt -86.62 145.26 26.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.599 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 4.8 mptp? -96.53 139.21 32.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.6 mt -108.87 122.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.33 0.586 . . . . 0.0 112.3 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 31' ' ' VAL . 12.0 pt -123.76 108.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 170.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.414 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -86.8 111.24 20.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.296 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.4 t -72.33 -41.54 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.424 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 52.1 t -64.04 117.1 6.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.937 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 45.5 m -64.81 -16.8 63.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.154 -175.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.87 -50.03 58.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.52 62.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.273 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.619 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 38.4 ttmt -52.23 -57.37 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.586 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 57.6 m-70 -69.01 -21.45 64.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.7 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.3 ttm -73.07 -36.81 66.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 109.913 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 57' ' ' LEU . 83.7 mt -72.04 -29.45 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.293 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 74.8 mt-10 -68.64 -40.72 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.7 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 30.7 mmtp -85.94 -44.53 12.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.89 -169.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -87.48 118.78 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.12 -26.14 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.754 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -60.44 -24.78 65.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.819 0.343 . . . . 0.0 110.717 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 61' ' ' VAL . 24.0 m-85 -100.51 -22.86 14.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.1 tt0 -69.4 -14.44 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.442 -173.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.69 -40.64 92.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 111.13 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.63 7.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.604 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.853 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 69.6 t80 -100.49 136.41 40.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 70' ' ' LYS . 7.4 mp -81.13 -69.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.273 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.28 107.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.864 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.613 HD12 ' HG3' ' A' ' 79' ' ' LYS . 90.2 mt -107.36 27.93 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.555 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -130.28 -78.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 0.0 110.124 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -143.09 107.23 4.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.069 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -109.52 1.38 19.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -171.63 159.67 5.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.494 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -84.44 -79.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -138.08 -24.2 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.872 171.365 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -72.46 90.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.881 0.372 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -158.75 146.27 17.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.858 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -116.29 -94.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.651 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.858 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 55.1 mt-10 66.56 135.08 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.39 0.676 . . . . 0.0 111.717 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -78.75 93.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -84.51 116.7 23.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.599 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -100.32 138.88 36.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.361 0.6 . . . . 0.0 110.76 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.35 142.96 5.73 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.909 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 45.48 46.15 10.67 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.011 0.924 . . . . 0.0 113.181 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 69.51 16.48 8.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.968 0.507 . . . . 0.0 111.086 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' THR . 33.9 ttpt -125.32 127.13 46.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.258 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -101.1 104.01 15.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 35.5 p90 -120.03 126.8 51.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.413 0.625 . . . . 0.0 111.251 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.558 HG13 HD21 ' A' ' 56' ' ' LEU . 29.0 mt -90.27 115.01 28.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.504 173.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.4 163.6 30.07 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.954 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.46 -8.7 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.509 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.4 t70 -158.41 161.81 37.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.23 -40.68 94.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.291 . . . . 0.0 110.598 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -83.87 -3.83 58.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 12.5 m120 -117.9 30.79 7.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.43 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 14' ' ' TYR . . . -76.25 109.75 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.055 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 -26.73 48.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.298 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -146.37 98.72 3.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.984 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.1 pt-20 -116.21 116.63 28.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.47 . . . . 0.0 111.356 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' HB ' HG23 ' A' ' 41' ' ' THR . 15.1 tt -106.42 118.32 53.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.156 0.503 . . . . 0.0 109.981 176.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' ' 12' ' ' LYS . 82.2 p -110.3 140.04 44.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 -175.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' HB3' HG13 ' A' ' 38' ' ' ILE . 32.3 p90 -146.62 134.42 21.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.105 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 29' ' ' ARG . 51.8 mtm180 -109.16 143.47 38.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.075 0.464 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -81.2 87.4 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.152 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.77 -20.5 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.217 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 23.2 t0 -153.07 52.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.441 0.638 . . . . 0.0 110.034 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.5 t30 66.65 -77.29 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.942 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 4.1 m-20 -89.8 -9.55 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.852 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 2.9 tp10 -86.32 105.42 16.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.276 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.62 HD11 HG12 ' A' ' 71' ' ' ILE . 31.8 pt -105.87 116.52 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.63 0.729 . . . . 0.0 111.427 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HA ' HG13 ' A' ' 72' ' ' ILE . 6.7 t30 -98.61 113.04 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' A' ' 28' ' ' TYR . 2.2 mp -78.98 108.2 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.78 -56.04 9.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.712 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -152.59 142.88 22.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.956 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 43' ' ' VAL . 22.2 m -108.9 89.2 2.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.63 78.9 1.94 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.601 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 41' ' ' THR . 43.9 t -104.65 121.65 56.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.6 t -69.79 130.92 43.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.47 0.653 . . . . 0.0 109.843 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.72 86.94 2.5 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.56 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -116.07 9.02 14.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.768 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt -140.53 -61.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.765 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.89 -162.51 30.89 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.64 82.4 0.71 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.483 ' OE1' ' HA ' ' A' ' 50' ' ' GLN . 5.8 tp60 -90.68 168.17 11.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.4 -30.46 58.56 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 116.486 -0.324 . . . . 0.0 113.685 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.2 -39.56 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 111.601 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.61 -52.44 52.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.55 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -74.22 -20.78 60.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.699 -0.295 . . . . 0.0 110.929 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.95 -40.6 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 15' ' ' ILE . 73.9 mt -67.54 -50.66 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.64 -37.39 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -54.72 -55.36 30.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.756 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 26' ' ' ILE . 59.6 t -67.6 -51.72 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.12 -178.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.59 -38.87 83.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.708 0.29 . . . . 0.0 110.912 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 35.1 tt0 -61.88 -50.83 70.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -66.97 -34.18 77.2 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.568 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.34 -52.49 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -62.12 -30.06 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.3 mt-10 -58.34 -47.75 82.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.989 0.423 . . . . 0.0 111.225 175.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 35.4 m-80 -101.8 12.34 37.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.806 -171.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.85 35.06 13.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.679 0.752 . . . . 0.0 110.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 64' ' ' ALA . 74.5 mt -82.95 134.89 35.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 93' ' ' LEU . 8.8 mtmp? -103.07 131.18 50.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.112 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.62 HG12 HD11 ' A' ' 36' ' ' ILE . 42.1 mt -94.75 119.36 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.298 -169.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.551 HG13 ' HA ' ' A' ' 37' ' ' ASN . 16.1 pt -118.48 106.42 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.724 170.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.72 116.07 27.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.351 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.8 t -88.92 -16.53 31.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.41 138.72 31.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.683 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -59.43 -44.18 92.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.543 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.34 -57.78 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.421 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.87 93.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.388 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -65.36 -29.27 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -72.84 -38.81 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.979 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.2 mtp -69.91 -48.42 58.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.11 -30.96 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.397 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -84.83 -17.34 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -86.14 -29.69 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 109.63 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.41 111.62 22.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.159 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.39 -38.68 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.4 m -68.56 -28.16 66.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.132 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -80.47 -11.27 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.681 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.881 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 44.1 mt-30 -81.76 7.52 12.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.546 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.09 -55.6 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.372 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -9.67 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.769 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.881 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 59.0 t80 -83.21 119.36 24.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.193 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.4 pt? -114.23 -33.45 5.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.673 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.42 -132.82 30.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.468 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.93 134.69 40.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.364 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.65 -55.64 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.003 0.43 . . . . 0.0 109.992 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -110.97 145.68 37.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.308 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -65.68 98.03 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.005 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -100.53 139.63 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.774 -173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -81.51 142.35 32.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.338 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -64.89 156.32 31.36 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.843 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.017 177.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.722 0.296 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -133.28 -72.43 0.5 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.295 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -159.14 147.16 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.67 83.38 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.514 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.6 139.58 49.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.413 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.83 97.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.152 0.501 . . . . 0.0 110.383 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.6 mmmm -86.9 130.17 34.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.772 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.38 130.24 53.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.87 -146.71 8.8 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.312 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 85.05 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.989 0.516 . . . . 0.0 110.662 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.64 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 49.6 m-80 45.86 49.49 11.68 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.863 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 27' ' ' THR . 60.1 pttt -153.73 163.78 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.75 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -120.98 134.14 55.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 3.6 p90 -149.47 140.11 22.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 0.0 110.824 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 56' ' ' LEU . 58.1 mt -125.09 124.82 68.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.169 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.3 -178.89 47.31 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.054 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.33 -25.99 38.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.792 0.806 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 23.0 t70 -153.48 169.13 23.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.804 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.409 0.623 . . . . 0.0 109.807 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -76.88 -34.08 57.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.759 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.6 m-20 -92.87 39.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.223 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 112.06 5.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.248 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -84.96 -31.91 23.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -139.78 105.37 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.08 177.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 148.75 45.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.963 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.29 117.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.238 0.542 . . . . 0.0 110.051 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' CB ' ' A' ' 12' ' ' LYS . 39.3 p -107.04 139.67 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.081 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -131.13 165.07 24.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.64 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.6 153.42 43.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.397 178.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.42 100.44 13.04 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -78.54 -41.75 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.941 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.85 -88.52 0.62 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.764 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -123.91 -65.93 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.242 -0.287 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 91.9 m-20 -113.41 -5.39 13.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.211 0.529 . . . . 0.0 110.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.87 114.51 15.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.466 HD11 HG12 ' A' ' 71' ' ' ILE . 23.6 pt -104.03 123.38 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.206 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' HG13 ' A' ' 72' ' ' ILE . 35.7 t30 -102.58 118.19 36.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.819 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.0 110.74 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -60.52 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.973 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -124.04 147.39 47.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.99 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -132.43 88.17 2.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.089 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.81 61.22 4.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.97 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 75.0 t -97.11 122.69 48.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 t -65.33 136.35 56.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.623 0.725 . . . . 0.0 111.149 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -105.43 -6.49 19.45 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.74 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -90.63 -9.96 45.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.815 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.74 -61.48 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.733 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.83 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.032 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.14 120.61 6.94 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.127 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -92.68 4.9 52.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.582 0.23 . . . . 0.0 110.959 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -57.12 -30.05 60.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.202 177.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.91 -27.44 38.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 122.439 0.296 . . . . 0.0 111.476 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.98 94.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.668 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -78.91 -22.9 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.519 0.199 . . . . 0.0 110.476 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 73.2 mmtt -60.22 -53.7 54.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 175.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -69.09 -39.51 78.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.44 -42.35 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -64.28 -40.96 97.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.238 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.7 89.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.877 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 56' ' ' LEU . 96.0 t -66.31 -52.08 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.2 t -58.54 -46.9 89.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 31.5 tt0 -60.09 -48.04 83.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.374 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.492 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 78.0 t60 -69.65 -31.69 69.92 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.965 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.3 92.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.253 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -62.5 -33.43 74.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.518 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 42.8 mt-10 -60.31 -49.6 76.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.045 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -99.49 11.77 38.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.849 -172.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 59.82 37.31 21.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.623 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 83.2 mt -84.16 150.83 25.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.546 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.01 123.79 48.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.657 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.553 ' HB ' ' HA ' ' A' ' 92' ' ' TYR . 58.2 mt -92.57 120.85 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.88 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 37' ' ' ASN . 29.9 pt -128.75 155.29 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.904 171.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.24 126.55 19.97 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.868 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -84.04 -25.48 29.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.98 107.5 9.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.989 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.445 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 17.2 m -62.18 -28.44 69.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.663 -176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.96 -53.0 63.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.307 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HA ' ' HE2' ' A' ' 81' ' ' MET . . . -72.58 -36.21 68.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 61.9 tttm -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.3 -22.78 61.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.231 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 68.7 mtm -71.92 -38.78 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.038 0.447 . . . . 0.0 109.993 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' CD2' ' A' ' 88' ' ' TYR . 46.6 mt -71.85 -33.38 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.222 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.25 -30.4 62.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -80.49 -27.93 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 88' ' ' TYR . 6.5 tp10 -90.52 106.01 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.221 0.534 . . . . 0.0 110.189 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.39 -28.43 68.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 m -75.19 -0.58 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 85' ' ' GLU . 21.0 m-30 -105.19 -3.36 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.074 -0.391 . . . . 0.0 111.306 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -81.62 28.22 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -173.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.74 -21.11 12.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.856 0.36 . . . . 0.0 110.121 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.426 HG21 HG13 ' A' ' 61' ' ' VAL . 10.9 m -120.28 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 30.4 t80 -80.28 127.45 32.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.979 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.8 66.73 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.44 1.28 57.14 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 173.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 1.5 pp -91.39 32.1 1.09 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.601 -0.8 . . . . 0.0 110.834 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -55.34 -47.16 76.11 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.642 -172.504 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 17.6 p80 174.34 -37.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 172.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -96.91 -32.32 12.12 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.724 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 53.92 -161.06 0.13 Allowed 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.215 0.322 . . . . 0.0 110.626 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 61.86 -84.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.926 0.49 . . . . 0.0 111.912 170.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 177.6 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 C--O 1.241 0.628 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.449 168.791 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 ttp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.919 0.39 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -115.65 -167.27 1.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -98.74 -21.53 16.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.751 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.7 pt? -90.42 33.04 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.907 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 2' ' ' SER . 6.3 mm-40 -68.82 125.45 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 15' ' ' ILE . 57.9 mt -73.8 106.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.901 0.381 . . . . 0.0 109.988 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.01 137.9 39.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.062 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -98.32 149.26 22.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.8 0.333 . . . . 0.0 110.173 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 -166.76 14.17 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.978 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 21.8 mp0 -63.46 101.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.26 0.224 . . . . 0.0 110.716 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 60.52 27.08 16.73 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.618 0.573 . . . . 0.0 111.432 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 27' ' ' THR . 22.5 pttm -157.19 160.05 38.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 0.0 112.039 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.24 134.45 50.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -136.97 138.64 40.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.469 0.652 . . . . 0.0 111.718 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 56' ' ' LEU . 42.7 mt -110.76 123.0 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.787 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 174.55 163.39 27.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.133 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -42.89 80.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.586 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -132.93 167.01 21.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.211 0.529 . . . . 0.0 109.914 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -85.83 -31.3 22.35 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.84 43.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.879 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -80.36 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.005 177.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -86.76 -18.97 29.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.701 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.55 112.54 1.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.85 140.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.219 0.533 . . . . 0.0 110.617 177.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.46 130.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.347 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 12' ' ' LYS . 70.3 p -111.12 138.33 47.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -118.85 119.65 34.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -102.77 148.55 25.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -97.76 106.79 19.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.728 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 37' ' ' ASN . 15.2 m -86.33 -42.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.778 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.99 99.91 2.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 0.0 111.63 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 60.6 -82.76 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.711 172.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -118.09 1.42 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.97 111.51 23.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -111.44 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.1 p30 -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.98 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 78' ' ' ALA . 2.1 mp -70.69 110.84 3.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.46 -42.75 13.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.737 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -140.43 141.4 35.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.2 m -146.97 97.62 2.92 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.706 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -107.51 91.13 0.68 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.439 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 24' ' ' ALA . 47.4 t -106.05 106.53 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.819 0.343 . . . . 0.0 110.703 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 p -91.1 123.66 34.73 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -87.56 -50.77 6.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.581 -176.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 56.47 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.801 0.84 . . . . 0.0 112.041 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.78 -33.15 66.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.149 0.5 . . . . 0.0 109.787 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.6 -44.19 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.005 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' HG23 ' A' ' 52' ' ' VAL . . . 86.35 -44.74 3.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.682 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 62.35 -88.43 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.096 0.558 . . . . 0.0 111.058 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -156.76 35.34 0.58 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.563 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 49' ' ' GLY . 60.7 t -56.39 -45.11 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.857 0.361 . . . . 0.0 110.538 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.37 -39.35 97.14 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.305 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -68.43 -35.17 77.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.552 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 67.7 mttm -68.06 -38.84 82.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.311 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 15' ' ' ILE . 74.2 mt -61.07 -48.39 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.968 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -54.98 -47.52 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.747 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 25.0 ttpp -57.87 -46.66 84.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.87 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.024 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 56' ' ' LEU . 89.4 t -62.77 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.06 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 91' ' ' VAL . 91.2 t -58.75 -44.65 90.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 38.1 mm-40 -55.89 -56.8 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.994 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -62.78 -39.42 94.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.754 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.19 97.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -33.02 75.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.233 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 48.5 mt-10 -69.59 -35.75 75.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.802 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.581 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m120 -96.94 -0.46 47.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.312 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.8 t30 57.59 47.11 16.54 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.825 0.821 . . . . 0.0 110.651 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.2 mt -90.35 147.56 23.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.818 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -106.04 137.03 44.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -110.57 126.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 0.0 112.682 -169.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.2 pt -125.43 176.8 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.504 167.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.6 129.56 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.268 -0.573 . . . . 0.0 112.035 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -90.65 -32.66 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.13 119.9 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.113 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -63.52 -36.19 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.91 -46.73 81.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' HG21 ' A' ' 38' ' ' ILE . . . -74.65 -38.81 62.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.9 -40.52 80.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -66.87 -33.5 75.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.7 mtm -73.5 -43.16 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.789 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.5 -30.55 71.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.042 0.448 . . . . 0.0 110.944 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.33 -25.41 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.056 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.12 -32.77 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -120.79 117.2 26.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 0.0 110.052 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.472 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 17.3 m-20 -77.05 3.94 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.489 -173.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 m -74.5 -16.1 60.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.948 0.404 . . . . 0.0 110.503 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -87.98 1.13 54.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.838 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 86' ' ' ASP . 47.6 mt-30 -62.8 -14.83 50.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.03 -36.56 80.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.193 0.521 . . . . 0.0 110.998 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG21 HG22 ' A' ' 61' ' ' VAL . 15.2 m -110.0 -39.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -84.29 112.96 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.9 mt -86.49 -73.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.19 113.83 0.44 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.005 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.95 104.74 15.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.596 -0.355 . . . . 0.0 110.358 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' OE2' ' HA ' ' A' ' 100' ' ' HIS . 6.2 pt-20 -63.33 -41.46 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.206 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.0 t60 65.73 -78.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.447 0.699 . . . . 0.0 112.633 172.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -61.87 -64.27 0.99 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.261 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -80.39 118.61 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 167.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.42 ' HA ' ' OE2' ' A' ' 96' ' ' GLU . 16.4 p-80 -129.72 108.39 10.15 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.244 0.545 . . . . 0.0 111.404 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 60.35 31.48 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.127 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.702 179.692 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.614 0.245 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -78.08 107.74 10.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -156.69 -170.15 3.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mp 59.77 25.16 14.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.259 0.552 . . . . 0.0 110.246 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.89 -174.92 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.851 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' A' ' 59' ' ' ALA . 56.5 mt -78.71 105.8 8.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.487 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -94.39 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -79.7 156.5 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.764 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.66 -158.7 10.14 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.828 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.63 90.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.375 0.67 . . . . 0.0 112.361 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.16 23.79 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.941 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.586 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.42 148.01 22.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.861 -177.094 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -105.22 133.99 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -134.8 150.83 50.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.389 0.614 . . . . 0.0 111.71 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -123.2 116.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.047 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.68 166.6 30.66 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.176 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.63 -35.29 80.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -159.48 168.38 26.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 38.8 mt-10 -71.57 -22.5 61.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.66 0.664 . . . . 0.0 111.281 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.44 -31.32 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -110.01 31.19 6.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.716 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 19' ' ' GLU . . . -67.27 106.72 2.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.02 -37.09 69.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -155.65 128.79 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 4.7 pt-20 -138.61 143.04 39.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.172 172.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.94 113.13 36.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.586 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.6 p -89.12 140.66 29.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.187 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 44.4 p90 -134.91 128.79 33.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.221 0.534 . . . . 0.0 110.398 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.67 166.57 12.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.885 -178.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -101.22 105.98 17.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.0 -26.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -136.63 -75.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.692 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -165.23 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' HD23 ' A' ' 69' ' ' LEU . 60.4 t30 -89.46 -6.59 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.938 0.875 . . . . 0.0 109.747 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.802 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 34.5 mt-10 -107.38 115.34 29.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.722 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 33.5 pt -112.55 135.34 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.148 0.499 . . . . 0.0 110.851 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.2 p-10 -109.37 138.56 45.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -178.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 27' ' ' THR . 3.1 mp -85.24 102.26 10.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -58.81 -68.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.34 0.591 . . . . 0.0 110.395 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 14.4 p-80 -132.57 149.45 52.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.098 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 43' ' ' VAL . 12.0 m -113.32 94.45 4.88 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -80.76 63.09 4.3 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.758 -172.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 41' ' ' THR . 92.8 t -96.16 119.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.472 ' OG ' ' HG2' ' A' ' 46' ' ' GLU . 22.7 t -70.22 148.98 47.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.028 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.01 -18.86 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.472 ' HG2' ' OG ' ' A' ' 44' ' ' SER . 10.7 pt-20 -76.32 87.33 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.43 0.633 . . . . 0.0 111.335 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp 72.38 -5.24 1.84 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.351 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.34 -20.71 63.53 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.7 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.99 -4.49 89.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.924 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -94.7 88.23 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.155 0.478 . . . . 0.0 110.468 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.05 -47.71 2.91 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.97 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.5 t -49.88 -48.05 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 123.071 0.548 . . . . 0.0 112.152 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.55 -38.27 80.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -79.61 -21.84 44.43 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.552 -0.381 . . . . 0.0 110.806 -176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.49 -35.91 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 109.864 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD11 ' HB1' ' A' ' 24' ' ' ALA . 81.4 mt -69.25 -41.12 77.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.49 -42.57 92.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.86 -46.11 78.3 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.567 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -53.52 -49.45 67.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.448 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.04 -45.77 62.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.346 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.59 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.639 0.257 . . . . 0.0 111.093 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.41 -52.15 66.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.467 . . . . 0.0 110.492 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -70.17 -27.03 64.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.071 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.92 87.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.331 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.941 HH12 ' HB2' ' A' ' 90' ' ' ASP . 14.5 mmt180 -57.79 -41.11 81.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.101 0.477 . . . . 0.0 110.536 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.52 -56.69 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.612 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.546 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m-20 -87.99 -4.44 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.021 -170.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 4.7 m-20 66.94 34.49 5.26 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.09 0.472 . . . . 0.0 110.198 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 63.7 mt -73.61 151.7 40.77 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.398 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.802 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 89.6 mttt -92.76 135.08 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.535 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 49.6 mm -108.69 115.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.109 0.48 . . . . 0.0 111.6 -176.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.8 148.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.201 171.245 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.84 140.07 52.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.8 t -92.99 -37.68 12.07 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.2 t -63.69 117.41 6.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.384 177.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -56.89 -38.54 72.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.02 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -57.82 -56.87 16.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.24 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.23 -45.13 91.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.536 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -70.56 -26.41 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.168 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 24.7 ttp -77.98 -42.63 32.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.23 -28.85 69.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.79 -19.13 55.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.503 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -97.54 -41.05 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.547 -175.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -88.31 141.99 28.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.326 0.584 . . . . 0.0 111.512 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.45 -27.95 56.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.051 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 p -64.33 -15.92 61.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -105.37 -3.05 23.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.6 0.238 . . . . 0.0 111.075 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.3 1.34 9.68 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.166 0.507 . . . . 0.0 112.178 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.941 ' HB2' HH12 ' A' ' 65' ' ' ARG . 46.4 m-20 -95.37 -39.78 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.96 0.409 . . . . 0.0 110.706 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' HB ' HG12 ' A' ' 71' ' ' ILE . 14.8 m -99.33 -34.85 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 33.3 t80 -71.67 127.02 31.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.909 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.43 73.47 3.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.791 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.81 9.18 73.52 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.487 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.5 pt? -60.67 -38.38 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.192 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.21 86.28 4.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.7 0.762 . . . . 0.0 111.087 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -109.75 34.64 3.71 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.673 174.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.56 119.44 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.922 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.0 t60 63.14 92.82 0.06 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.87 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -130.33 94.52 3.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.401 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -143.78 111.23 5.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.471 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.514 178.257 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.942 0.401 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -96.23 74.29 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.603 HD21 ' HB3' ' A' ' 5' ' ' GLU . 5.1 p-10 -177.98 163.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.098 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.17 79.78 9.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 3' ' ' ASN . 6.7 pt-20 -89.26 144.17 26.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.83 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' A' ' 55' ' ' LYS . 54.8 mt -91.6 116.41 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.665 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.16 120.42 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' HD1' ' A' ' 13' ' ' PHE . 5.4 pm0 -95.06 135.48 36.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.88 -172.09 22.27 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.438 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.88 99.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 111.731 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 62.66 15.48 8.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.718 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 27' ' ' THR . 8.5 ptpp? -142.53 140.15 31.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.365 0.603 . . . . 0.0 111.976 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HD1' ' HA ' ' A' ' 8' ' ' GLN . 36.4 m-85 -120.72 122.22 39.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 30.5 p90 -138.85 145.9 40.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.208 0.528 . . . . 0.0 112.045 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG13 HD21 ' A' ' 56' ' ' LEU . 68.3 mt -111.09 119.93 60.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.734 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.8 175.72 37.83 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.13 -28.21 20.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.424 0.612 . . . . 0.0 110.276 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -138.61 166.59 23.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.98 -28.52 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.628 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.02 -53.17 33.82 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -99.0 33.59 2.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.77 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.84 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.14 -34.5 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.92 123.75 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 174.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -127.24 138.04 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.603 174.214 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -120.73 131.09 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.075 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 12' ' ' LYS . 33.9 p -117.36 137.84 52.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 35.1 p90 -135.27 139.35 44.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.032 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -127.2 141.33 51.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -76.41 111.25 11.67 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -82.4 -43.96 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.341 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.528 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 15.6 t70 -116.73 -77.94 0.57 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.229 -177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.98 -78.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -95.0 -3.46 48.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.27 0.557 . . . . 0.0 110.316 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 52.6 mp0 -81.47 110.57 17.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.998 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 HG12 ' A' ' 71' ' ' ILE . 33.9 pt -104.76 132.25 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -109.09 132.03 54.5 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.778 179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.55 104.31 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.442 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.79 -43.83 57.73 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.656 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -149.38 137.1 20.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.092 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 43' ' ' VAL . 48.5 m -135.35 99.08 4.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.631 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -101.6 85.51 0.56 Allowed Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.732 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' THR . 52.8 t -97.58 105.79 17.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -81.46 122.41 27.49 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.258 0.552 . . . . 0.0 109.712 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -113.52 103.69 11.52 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.926 0.87 . . . . 0.0 110.252 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -85.36 17.07 3.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.87 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt 71.23 3.49 4.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.613 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.03 156.64 27.71 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 25.28 70.76 Favored Glycine 0 C--O 1.234 0.153 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.367 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -108.54 -175.08 2.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 111.618 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.18 6.82 25.53 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.526 HG13 HD12 ' A' ' 15' ' ' ILE . 61.7 t -74.4 -35.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.571 -0.815 . . . . 0.0 110.593 -177.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.53 94.16 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.852 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.584 0.231 . . . . 0.0 110.93 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.8 ttmm -64.69 -37.06 86.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 110.174 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HG13 ' A' ' 15' ' ' ILE . 95.5 mt -66.32 -50.35 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.26 -35.73 78.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.48 -48.0 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.93 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 56' ' ' LEU . 91.7 t -63.62 -54.02 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 91.9 t -61.51 -37.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.701 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -55.34 -52.15 64.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 110.385 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -67.81 -30.67 70.14 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.52 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.364 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 17.7 mmm180 -67.07 -43.4 82.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.364 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.52 -61.2 2.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.132 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ASN . 37.0 m-80 -89.42 -8.2 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.423 -171.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 67' ' ' ASN . 8.8 t30 68.09 84.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.897 0.856 . . . . 0.0 109.641 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.49 148.48 37.8 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.732 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.714 ' HB3' HD11 ' A' ' 93' ' ' LEU . 97.0 mttt -105.33 123.69 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 36' ' ' ILE . 64.2 mt -99.94 117.64 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.216 0.531 . . . . 0.0 112.092 -172.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.66 HG23 HD13 ' A' ' 93' ' ' LEU . 15.3 pt -117.55 148.93 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.056 170.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.38 117.16 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.893 0.378 . . . . 0.0 111.712 -175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -88.8 -25.77 22.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.23 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.2 t -81.9 124.4 29.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.901 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m -61.77 -45.22 94.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.482 ' HE2' ' HB ' ' A' ' 43' ' ' VAL . 72.4 t80 -60.14 -41.03 91.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.07 84.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.039 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.4 -36.89 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -66.25 -30.71 71.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.272 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.5 mtp -73.45 -36.99 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.47 -38.35 89.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.24 -33.77 76.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.337 175.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -70.8 -49.61 44.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -99.17 92.0 5.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 109.979 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -72.11 -8.37 54.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.101 -174.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -64.0 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 0.0 110.441 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 61' ' ' VAL . 21.3 m-85 -85.46 -13.76 48.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.769 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 mt-30 -76.32 5.02 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.66 -39.38 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 109.933 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.8 m -98.73 2.02 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.682 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.769 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 33.9 t80 -88.97 114.42 25.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.555 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.774 HD12 ' H ' ' A' ' 93' ' ' LEU . 2.5 mp -66.72 -39.78 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.588 -176.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.471 ' HA2' ' CZ ' ' A' ' 92' ' ' TYR . . . 86.24 157.22 29.35 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.179 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.1 mt -95.06 147.79 23.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.75 122.71 17.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.012 0.434 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -105.81 41.92 1.32 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.355 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -77.5 171.06 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -138.9 151.09 46.66 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -96.24 94.3 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -173.72 122.94 0.35 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.066 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.488 178.474 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 121.156 0.503 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -142.16 162.49 35.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.229 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -93.32 17.53 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 109.732 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.9 mt -128.96 37.43 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.271 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -98.35 157.16 16.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.499 HG12 HD11 ' A' ' 15' ' ' ILE . 55.9 mt -86.36 114.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.937 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 148.95 22.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -112.99 129.51 56.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.99 0.424 . . . . 0.0 111.326 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.32 -173.23 13.26 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.785 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 26.6 mt-10 -70.46 100.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.498 0.189 . . . . 0.0 110.888 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 12.4 m120 72.74 9.98 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.104 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -139.42 143.22 37.54 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.091 -0.644 . . . . 0.0 112.377 -179.476 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -112.23 127.13 55.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -131.61 133.97 45.53 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.459 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.499 HD11 HG12 ' A' ' 6' ' ' ILE . 69.1 mt -111.3 127.13 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.934 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.69 175.26 40.5 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.385 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.12 -37.27 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.215 0.531 . . . . 0.0 110.565 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -146.18 170.25 17.11 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -61.86 -36.76 82.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.78 -37.09 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.136 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.43 37.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.73 105.12 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.094 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.06 -31.37 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -150.87 117.68 5.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -122.88 139.37 54.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.125 0.488 . . . . 0.0 110.318 175.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.537 ' HB ' HG23 ' A' ' 41' ' ' THR . 13.5 tt -125.72 123.68 64.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.602 HG22 ' HB3' ' A' ' 12' ' ' LYS . 28.3 p -105.36 138.12 42.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.548 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.8 p90 -146.28 137.71 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -139.41 144.97 38.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.646 0.26 . . . . 0.0 110.848 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -68.42 110.22 4.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.935 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.13 -27.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 0.0 110.468 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.26 94.61 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 59.4 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.585 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -104.38 -14.4 15.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.622 0.249 . . . . 0.0 111.47 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 45.8 mt-10 -80.99 117.16 21.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 0.0 111.105 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 HD11 HG12 ' A' ' 71' ' ' ILE . 23.3 pt -109.26 121.66 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.441 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 4.2 t-20 -94.06 120.46 34.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.441 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.5 mp -80.15 107.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 35.9 t70 -74.46 -60.89 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.194 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 23.7 p-80 -144.34 144.51 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.091 0.472 . . . . 0.0 111.001 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 26' ' ' ILE . 17.4 m -134.73 100.73 4.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.286 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.772 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.83 114.03 4.89 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.365 -175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.52 109.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.33 122.74 19.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.019 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -93.34 89.49 6.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.463 0.649 . . . . 0.0 111.417 -174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.628 ' HG3' HD12 ' A' ' 47' ' ' LEU . 6.1 pt-20 -109.85 -60.6 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.876 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.628 HD12 ' HG3' ' A' ' 46' ' ' GLU . 7.0 mp -71.11 -62.58 1.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.025 0.44 . . . . 0.0 110.157 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.19 -139.5 6.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.6 78.45 1.87 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.017 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -98.81 154.69 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.648 0.261 . . . . 0.0 110.466 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.01 31.96 2.0 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.788 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.3 t -73.74 -47.29 44.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.107 0.479 . . . . 0.0 110.162 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.5 -28.63 73.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.176 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HE2' ' OH ' ' A' ' 88' ' ' TYR . 12.6 tptm -64.77 -36.06 83.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 110.225 -178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.13 -37.31 69.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.456 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 15' ' ' ILE . 89.3 mt -61.46 -46.92 88.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 61' ' ' VAL . 8.2 mp -59.74 -46.08 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.716 177.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.62 -39.25 83.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.61 98.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.5 -49.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.489 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.479 HG13 HG21 ' A' ' 91' ' ' VAL . 85.4 t -58.21 -40.86 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -55.11 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -71.7 -25.49 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.561 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.49 -54.43 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.652 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -59.73 -38.81 82.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.442 0.639 . . . . 0.0 109.602 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.71 -41.26 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.107 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.49 15.88 9.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.63 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 54.16 56.94 6.39 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.329 0.585 . . . . 0.0 111.229 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 87.4 mt -96.08 139.9 31.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 96.3 mttt -87.07 114.34 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.653 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 HD11 ' A' ' 36' ' ' ILE . 41.6 mt -86.0 113.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 111.117 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' HA ' ' A' ' 37' ' ' ASN . 12.8 pt -123.09 106.75 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -97.46 118.79 34.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.25 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 m -90.18 -28.39 18.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.457 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 42.6 t -67.15 117.08 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.854 176.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -58.14 -35.96 72.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.993 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -62.76 -46.81 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.643 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.78 55.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -58.53 -46.27 87.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.605 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -72.99 -23.47 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.831 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 33.4 ttm -74.18 -41.65 61.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.18 -32.85 74.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.288 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -70.19 -23.67 63.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.87 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -73.69 -52.83 11.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.434 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -99.86 128.94 45.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.96 0.41 . . . . 0.0 110.443 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' HA ' ' OE1' ' A' ' 89' ' ' GLN . 7.4 p-10 -70.21 -9.95 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.379 -172.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 m -79.55 1.34 26.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.695 0.283 . . . . 0.0 111.682 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.548 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 66.4 m-85 -105.43 -14.49 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 86' ' ' ASP . 15.3 mp0 -70.62 -0.4 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -76.86 -47.35 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 110.224 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HG13 ' A' ' 61' ' ' VAL . 6.4 m -99.38 -26.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.224 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -82.5 129.28 34.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 70' ' ' LYS . 83.3 mt -73.97 91.72 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.236 0.541 . . . . 0.0 110.889 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.48 136.92 50.19 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.453 174.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.6 tp -100.43 -14.91 18.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 -174.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.81 87.78 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.194 0.521 . . . . 0.0 111.614 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -67.09 121.17 15.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -80.13 49.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.783 -171.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 62.98 -79.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.016 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 178.01 26.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -139.85 156.04 46.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.736 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.028 -0.986 . . . . 0.0 109.571 174.373 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.68 0.276 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -72.53 130.1 39.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -134.84 -28.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.596 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.37 86.42 7.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -103.83 151.33 23.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.704 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG3' ' A' ' 55' ' ' LYS . 65.7 mt -96.47 108.23 20.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.989 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.11 135.16 33.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -97.07 140.05 32.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.904 -175.662 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -151.89 5.52 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.109 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.39 89.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.989 0.515 . . . . 0.0 111.506 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 95.1 m-20 55.11 26.55 8.34 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.506 0.504 . . . . 0.0 110.921 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.7 ptpt -136.83 153.61 50.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.569 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 69.1 m-85 -122.84 117.62 26.04 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -127.76 134.19 49.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.457 0.646 . . . . 0.0 112.253 -174.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.5 125.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.94 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . -177.78 172.13 44.75 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.153 -1.022 . . . . 0.0 112.305 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.51 -26.48 55.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.626 0.727 . . . . 0.0 110.099 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.46 162.0 40.49 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.94 -33.84 72.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.109 0.481 . . . . 0.0 110.182 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -80.84 -21.77 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.985 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.24 35.61 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.413 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -71.45 113.47 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.112 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.53 -5.41 54.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.945 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -162.2 109.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.97 152.73 52.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.078 0.466 . . . . 0.0 111.443 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.31 131.71 58.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.24 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 73.6 p -121.08 138.55 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 37.6 p90 -138.58 127.95 24.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.975 0.416 . . . . 0.0 110.095 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -113.28 145.93 40.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.67 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.743 ' HB3' ' HA ' ' A' ' 33' ' ' ASN . 76.4 m-85 -80.44 102.92 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.417 -176.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.6 m -85.52 -26.16 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 0.0 110.519 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 28.9 t70 -134.8 8.69 3.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.266 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.743 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 4.6 m-20 72.62 -56.06 0.66 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.76 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.04 -36.19 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 109.664 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 44.2 mt-10 -93.73 121.04 34.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 174.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 HG12 ' A' ' 71' ' ' ILE . 38.1 pt -110.67 138.97 36.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.706 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -114.4 119.03 35.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.88 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.98 101.92 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.67 -58.68 2.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.183 -168.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 81.2 t60 -127.48 141.45 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.363 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -147.76 102.64 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.83 106.52 2.18 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 86.3 t -125.5 126.59 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.551 0.215 . . . . 0.0 110.989 -174.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.475 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . 4.6 p -64.96 133.46 51.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.548 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.96 28.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.439 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' HG2' ' HB2' ' A' ' 44' ' ' SER . 25.5 mm-40 -54.02 -61.36 2.35 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 87.6 mt -83.24 -35.53 25.31 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.59 -104.66 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.571 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.06 -23.79 62.18 Favored Glycine 0 N--CA 1.452 -0.296 0 O-C-N 123.875 0.397 . . . . 0.0 112.982 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.619 ' HB2' ' HB3' ' A' ' 47' ' ' LEU . 52.9 mt-30 -64.79 -26.64 68.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.456 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.79 70.11 0.55 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.495 -0.859 . . . . 0.0 114.499 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 27.9 t -83.36 -45.98 18.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 169.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.55 -25.35 68.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.11 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 16.2 tppt? -58.59 -36.67 74.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.319 176.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.682 ' HG3' HD11 ' A' ' 6' ' ' ILE . 41.3 tptt -71.1 -57.32 4.63 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.383 0.611 . . . . 0.0 110.21 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.02 -47.9 84.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.47 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' HB ' ' A' ' 60' ' ' VAL . 26.1 tp -72.24 -25.08 61.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.017 -175.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 24.1 ttpp -58.4 -51.49 69.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.37 75.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.992 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' HD12 ' A' ' 57' ' ' LEU . 57.4 t -65.28 -49.47 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -42.36 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 60.6 mt-10 -61.23 -47.24 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.919 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -70.38 -31.72 69.07 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.08 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.165 175.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.48 -36.71 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.292 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.9 mt-10 -57.98 -39.64 78.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.187 0.518 . . . . 0.0 111.029 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.558 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 31.0 m-80 -110.78 10.86 22.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.858 -173.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 54.56 43.0 30.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.171 0.51 . . . . 0.0 110.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 79.4 mt -83.58 142.38 30.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.24 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.02 120.46 32.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 36' ' ' ILE . 36.4 mt -94.06 120.09 42.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.267 0.556 . . . . 0.0 112.009 -174.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -126.64 159.01 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.672 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 136.75 37.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.5 m -90.22 -31.28 17.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.439 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 98.5 m -75.34 123.63 25.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.059 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -57.18 -38.79 74.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.231 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.84 -47.7 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.079 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -78.9 -41.42 29.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.082 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.46 -51.3 70.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.623 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.438 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 9.8 t60 -72.6 -19.05 61.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.776 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -70.47 -42.19 71.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 88' ' ' TYR . 46.5 mt -58.74 -38.51 78.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.626 177.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HG2' ' CE2' ' A' ' 92' ' ' TYR . 31.8 mt-10 -74.26 -22.4 59.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.25 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -80.14 -44.99 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -109.6 144.65 37.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.2 0.524 . . . . 0.0 111.816 -170.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.94 -36.42 74.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.674 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 p -57.05 -41.68 79.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.873 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 82' ' ' LEU . 20.9 m-85 -81.13 -31.14 34.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -57.51 -25.26 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.27 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.5 -37.35 67.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.09 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.69 11.1 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.95 0.405 . . . . 0.0 111.666 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 52.5 t80 -95.31 135.02 37.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.086 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.47 -71.32 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.155 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.97 -53.57 4.62 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.313 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.6 151.71 36.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 110.968 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -95.2 147.19 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -66.05 124.62 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -60.58 132.24 53.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.263 0.554 . . . . 0.0 111.071 -172.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 2.9 t-160 -88.53 -33.18 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.508 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 87.5 m-70 70.88 -74.26 0.09 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.81 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -94.45 -161.92 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.359 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.633 178.196 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.547 0.213 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -83.6 60.64 5.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.493 0.663 . . . . 0.0 110.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -101.16 1.15 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.989 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 15' ' ' ILE . 92.7 mt -83.16 87.09 6.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.296 -179.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.41 146.27 29.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.553 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.52 HG12 HD11 ' A' ' 15' ' ' ILE . 58.4 mt -76.5 106.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.917 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -86.38 116.98 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.106 0.479 . . . . 0.0 110.61 -177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.625 ' HG2' ' HE1' ' A' ' 13' ' ' PHE . 77.9 mt-30 -73.15 121.39 20.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.728 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.0 -161.23 11.48 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.762 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pm0 -69.7 95.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 0.0 110.752 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.18 23.39 12.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.364 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.4 ptpt -140.21 160.45 39.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.345 0.593 . . . . 0.0 112.145 -173.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.625 ' HE1' ' HG2' ' A' ' 8' ' ' GLN . 36.0 m-85 -122.68 114.5 20.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.407 168.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.73 150.02 50.46 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.641 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 4' ' ' LEU . 47.6 mt -142.39 149.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.031 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.78 -178.65 39.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.79 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.19 -28.43 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 109.424 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -156.25 168.1 28.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.532 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.64 -28.5 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.231 0.539 . . . . 0.0 110.095 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.67 -34.72 67.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.384 0.611 . . . . 0.0 110.127 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -107.93 44.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.202 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 116.78 6.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.513 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 44' ' ' SER . 95.8 mt -88.25 -4.12 58.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.54 0.686 . . . . 0.0 109.717 176.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.52 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -140.47 125.7 18.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.073 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -154.98 114.59 3.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 13.8 tt -144.15 134.97 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.687 0.279 . . . . 0.0 110.945 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.522 HG22 ' HB3' ' A' ' 12' ' ' LYS . 39.7 p -123.09 139.51 54.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 16.2 p90 -125.12 100.16 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.367 0.603 . . . . 0.0 110.571 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -95.76 136.35 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -75.75 121.04 21.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.923 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 72' ' ' ILE . 15.6 m -103.11 -49.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 12.4 t70 -110.08 -82.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.439 -175.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -137.44 -46.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.732 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -130.07 0.43 4.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.388 0.613 . . . . 0.0 110.02 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 32.1 mp0 -81.28 107.55 14.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.325 -176.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 13.9 pt -90.27 110.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.478 0.656 . . . . 0.0 109.82 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HA ' HG13 ' A' ' 72' ' ' ILE . 34.2 t30 -87.28 112.25 21.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.478 -177.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.99 100.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 109.42 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 9.7 t70 -84.48 -58.6 2.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.467 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 14.0 t60 -108.99 133.87 52.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.376 -174.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 30.1 m -143.64 104.47 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.455 . . . . 0.0 110.442 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.16 106.1 1.09 Allowed Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.654 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.18 154.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 p -52.1 122.25 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.442 0.639 . . . . 0.0 111.67 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -98.84 10.95 40.2 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' OE1' ' HG ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -51.21 -66.05 0.45 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.998 178.068 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' OE1' ' A' ' 46' ' ' GLU . 72.8 mt -131.18 18.68 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.88 174.41 21.44 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.115 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.6 54.55 4.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.183 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -65.28 103.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.36 0.264 . . . . 0.0 111.228 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.8 -44.15 2.26 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.221 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.5 t -57.15 -46.88 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 122.516 0.326 . . . . 0.0 111.486 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.94 97.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.72 -46.34 82.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.75 0.309 . . . . 0.0 110.44 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 4' ' ' LEU . 64.9 tttp -58.49 -42.61 87.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.99 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD11 ' HB1' ' A' ' 24' ' ' ALA . 95.8 mt -67.18 -54.28 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.983 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.51 HD11 HD21 ' A' ' 82' ' ' LEU . 24.0 tp -65.73 -41.78 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.145 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -61.91 -38.78 89.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.682 0.277 . . . . 0.0 110.518 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.87 99.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.49 -49.55 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.59 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.496 HG13 HG11 ' A' ' 91' ' ' VAL . 99.3 t -58.41 -37.96 66.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.159 0.504 . . . . 0.0 111.017 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.23 -55.03 38.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -71.66 -27.48 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.725 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.82 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.11 -35.49 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.657 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.68 -45.2 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.05 8.24 40.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.452 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 59.2 39.19 23.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.772 0.796 . . . . 0.0 110.344 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.15 157.76 21.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.429 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HD2' HD11 ' A' ' 93' ' ' LEU . 72.1 mmtt -113.46 135.36 53.96 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.96 125.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 112.062 -172.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 31' ' ' VAL . 31.5 pt -130.53 161.5 40.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.622 171.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.61 137.61 42.09 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.737 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -104.82 -16.97 14.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.439 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 50.6 t -76.57 127.92 33.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.885 175.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -62.42 -41.21 98.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.33 -53.03 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.757 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.72 96.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.9 ttmt -59.23 -50.64 73.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -68.98 -26.29 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.12 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.5 ttp -72.06 -37.62 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 109.977 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 57' ' ' LEU . 79.4 mt -69.51 -39.87 77.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.671 175.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 43.8 mt-10 -68.34 -28.28 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -64.28 -60.61 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.137 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 5.0 tp10 -84.81 134.19 34.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.56 -172.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.49 -37.52 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.816 -173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -68.07 -28.15 67.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 23.8 m-85 -76.86 -13.07 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.521 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.63 1.48 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.12 -49.1 11.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 110.152 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 HG13 ' A' ' 61' ' ' VAL . 23.1 m -83.9 -20.18 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.106 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -91.34 110.34 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.146 0.498 . . . . 0.0 109.803 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.52 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 6.2 mp -71.13 -42.61 68.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.153 -176.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.52 21.22 78.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.399 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 93' ' ' LEU . 93.4 mt -80.64 67.38 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.438 0.637 . . . . 0.0 110.24 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.29 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.596 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -101.75 140.97 35.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.18 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -80.75 130.92 35.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -78.91 -76.05 0.21 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.826 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -83.28 121.98 27.83 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -154.41 178.42 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.792 0.33 . . . . 0.0 110.348 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.575 178.75 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -81.74 110.48 17.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.99 0.424 . . . . 0.0 110.21 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -78.67 99.0 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.657 0.742 . . . . 0.0 110.556 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.2 mt -84.64 72.1 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.521 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -102.84 129.79 49.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.709 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.662 HD11 ' HG2' ' A' ' 55' ' ' LYS . 64.7 mt -62.07 113.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.948 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 7' ' ' LYS . 1.2 mmpm? -89.43 112.73 23.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -86.45 120.09 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.501 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.17 173.14 14.56 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.02 101.52 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.634 0.217 . . . . 0.0 110.918 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 m-20 65.68 20.31 11.53 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.545 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 52.0 pttt -143.36 117.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.146 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -101.25 111.59 23.85 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -125.81 147.16 49.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.962 0.411 . . . . 0.0 110.625 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.685 HD12 HG13 ' A' ' 52' ' ' VAL . 50.9 mt -125.77 121.78 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.423 0.63 . . . . 0.0 110.308 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.35 -176.42 42.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.726 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.44 -25.65 25.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.06 0.43 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -142.33 145.06 33.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.46 -32.06 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.288 . . . . 0.0 110.994 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -67.04 -34.84 78.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -123.52 45.23 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.374 0.607 . . . . 0.0 110.734 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.48 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.464 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.61 -26.86 41.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.054 0.454 . . . . 0.0 110.525 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.68 130.46 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.293 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.54 144.27 34.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 111.101 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 60' ' ' VAL . 10.5 tt -131.31 125.58 57.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.876 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 12' ' ' LYS . 16.2 p -115.26 139.13 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.99 0.424 . . . . 0.0 111.777 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 37.2 p90 -124.47 125.53 44.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.154 178.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' A' ' 39' ' ' ASP . 34.8 mtm180 -109.4 132.33 54.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.935 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -78.3 100.29 6.66 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.01 -40.85 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.53 -84.18 0.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.591 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -118.22 -90.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.331 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -107.73 18.16 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 108.536 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.795 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 38.2 mt-10 -89.5 116.1 27.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.622 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 22.9 pt -102.9 123.93 56.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.586 -173.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 t-20 -93.81 111.84 23.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.16 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 27' ' ' THR . 70.2 mt -74.72 95.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 171.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 32.3 t70 -85.48 -29.63 24.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.71 -171.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 78.1 t60 -142.61 134.26 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.442 0.639 . . . . 0.0 111.485 -178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 25.6 m -144.9 105.04 4.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.889 171.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.52 138.24 13.16 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.114 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.94 121.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 m -63.35 127.13 29.88 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -94.88 60.58 2.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.646 0.736 . . . . 0.0 111.631 -171.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -115.25 36.64 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt 68.06 77.89 0.24 Allowed 'General case' 0 C--O 1.23 0.066 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.98 60.79 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.715 -173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' HA3' HG23 ' A' ' 52' ' ' VAL . . . 75.92 -11.95 9.98 Favored Glycine 0 CA--C 1.518 0.274 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.913 172.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 69.75 -74.08 0.09 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.082 0.553 . . . . 0.0 111.432 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.46 -4.58 87.38 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.987 -175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 15' ' ' ILE . 69.9 t -56.51 -59.72 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.563 0.221 . . . . 0.0 111.463 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.57 -38.6 96.65 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.359 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.81 -41.9 97.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.662 ' HG2' HD11 ' A' ' 6' ' ' ILE . 38.7 ttpt -71.35 -33.99 70.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.4 mt -62.25 -52.36 64.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.986 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.44 -38.33 86.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.894 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -56.9 -46.15 82.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.185 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.92 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.437 HG21 HD13 ' A' ' 26' ' ' ILE . 68.6 t -61.94 -52.2 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.85 -40.18 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.5 -47.09 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.77 -30.36 70.56 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.098 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -65.56 -50.53 64.83 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.41 175.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -61.53 -38.57 87.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.644 0.259 . . . . 0.0 110.416 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.61 -45.51 66.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.573 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.58 6.54 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.506 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 52.82 65.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.69 0.757 . . . . 0.0 110.117 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 64' ' ' ALA . 91.3 mt -94.87 150.98 19.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.051 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.795 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 50.2 mtpt -101.94 115.75 31.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.06 131.87 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.0 111.996 -173.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 20.4 pt -134.37 144.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.026 170.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.62 142.4 50.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.288 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.726 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 16.4 p -103.86 -38.23 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 11.8 m -62.93 119.54 9.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.219 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -57.27 -42.14 81.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.602 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.536 ' O ' ' HG3' ' A' ' 81' ' ' MET . 83.7 t80 -57.58 -56.53 20.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.789 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 41' ' ' THR . . . -66.45 -35.19 79.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -57.66 -50.34 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.812 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 80.5 m-70 -71.17 -15.64 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -177.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 93.3 mtp -72.36 -44.44 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 175.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.93 -39.58 61.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.339 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 40.5 tt0 -64.35 -28.9 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -71.02 -43.68 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.392 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -92.03 127.84 37.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.301 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.9 -38.28 81.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.479 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 t -71.19 -24.94 62.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.831 0.348 . . . . 0.0 111.61 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -84.93 -14.61 47.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.685 0.279 . . . . 0.0 111.082 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -84.65 3.21 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.85 -41.12 16.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.4 -26.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.67 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -82.99 139.33 33.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 70' ' ' LYS . 10.3 mp -81.93 76.96 8.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.259 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.02 -143.49 14.98 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.82 41.52 17.96 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.547 0.689 . . . . 0.0 109.383 -175.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.8 -2.91 22.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.369 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.16 91.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 165.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -70.23 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.687 -168.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -75.08 -15.63 60.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.933 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.1 m80 67.15 52.85 0.83 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -165.41 -47.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.39 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.613 -1.184 . . . . 0.0 108.605 -167.045 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m 69.71 -72.66 0.1 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.167 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -118.46 -35.15 3.83 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.913 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -103.81 90.72 3.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.952 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.93 -177.71 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.091 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -86.36 95.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.07 156.84 26.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -112.42 146.73 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.481 0.658 . . . . 0.0 111.744 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.24 -174.1 13.22 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -69.88 105.33 2.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.242 0.521 . . . . 0.0 110.659 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 63.1 30.19 16.16 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.683 0.614 . . . . 0.0 111.375 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 27' ' ' THR . 56.4 pttt -159.25 165.27 33.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 112.04 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -131.01 149.38 52.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 32.9 p90 -151.22 142.63 23.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.245 0.545 . . . . 0.0 111.229 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.781 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 55.5 mt -110.95 123.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.266 174.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.76 173.86 36.21 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.95 -48.66 73.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.7 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.08 -175.38 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.591 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -67.78 -18.28 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.833 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -132.1 60.04 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.85 92.85 8.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.55 -13.86 50.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 0.0 110.32 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.781 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -132.3 97.9 4.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.771 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -113.83 135.59 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.897 -173.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 56' ' ' LEU . 14.5 tt -151.4 127.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.962 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 12' ' ' LYS . 21.6 p -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.477 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 36.3 p90 -146.71 138.1 24.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 19.2 ttt180 -142.24 149.72 39.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.009 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -76.45 118.96 19.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.67 -41.06 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -161.52 98.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 67.65 -76.2 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.879 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 22.2 t-20 -116.67 -23.46 8.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 111.38 -172.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 23.0 mp0 -75.69 121.48 22.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.3 pt -112.29 128.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.894 175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.626 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.7 p-10 -101.46 135.95 42.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.912 0.387 . . . . 0.0 110.504 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.5 mp -83.36 109.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 13.5 t70 -68.53 -57.81 5.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.249 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -151.48 151.16 31.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.421 . . . . 0.0 111.01 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -116.1 110.74 19.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.919 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.96 81.31 0.3 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.341 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -93.24 125.54 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.9 p -67.06 150.33 49.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 0.0 111.084 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.96 -16.98 48.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.689 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.27 -22.03 25.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.622 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 tp -143.17 70.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.315 0.579 . . . . 0.0 111.104 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 -77.9 1.32 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.54 -100.38 0.67 Allowed Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.874 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 3.1 pm0 -93.18 -171.07 2.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.54 60.25 3.67 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.594 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.11 -39.09 82.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.078 0.466 . . . . 0.0 109.953 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.66 87.83 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 87.5 tttt -67.78 -36.58 80.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.304 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -74.0 -30.08 62.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.73 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.669 HD11 ' HB1' ' A' ' 24' ' ' ALA . 59.6 mt -64.68 -50.85 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.156 0.503 . . . . 0.0 109.787 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.513 HD22 ' HE2' ' A' ' 81' ' ' MET . 38.5 tp -64.34 -31.89 73.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.342 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -54.74 -48.56 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.28 98.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.83 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.34 -47.56 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.575 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 88' ' ' TYR . 64.5 t -62.48 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.459 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.02 -42.95 89.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 66' ' ' GLU . 69.6 t60 -72.89 -24.85 60.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.096 0.474 . . . . 0.0 110.462 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.23 53.26 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 175.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.71 -42.43 93.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 63' ' ' HIS . 24.2 tt0 -50.08 -47.91 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.632 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -107.23 7.25 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.907 -174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 56.55 61.7 2.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -107.2 158.05 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 35' ' ' GLU . 30.2 mmtp -92.4 116.59 29.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.929 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 91' ' ' VAL . 20.8 mt -92.19 112.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.298 178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 5.3 pt -125.97 119.18 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.085 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.31 122.97 35.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.086 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.2 m -74.78 -37.46 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.511 . . . . 0.0 109.665 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.9 p -79.22 131.69 36.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.585 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 p -67.58 -29.62 69.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.028 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.44 -48.58 80.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.998 0.428 . . . . 0.0 110.627 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.44 85.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 36.0 ttmt -64.38 -38.88 92.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.63 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.482 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.513 ' HE2' HD22 ' A' ' 57' ' ' LEU . 35.0 ttp -73.69 -31.29 63.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.577 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 HD21 ' A' ' 57' ' ' LEU . 81.3 mt -66.76 -36.83 83.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.753 174.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.3 mt-10 -82.12 -16.28 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.635 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -39.64 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.898 -173.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.77 169.61 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.981 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.19 -24.4 27.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.249 -169.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 t -66.41 -4.36 8.01 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.142 -175.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 54' ' ' LYS . 35.3 m-85 -96.78 -7.39 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.278 -0.264 . . . . 0.0 111.599 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.497 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 51.9 tt0 -69.48 -15.32 63.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.75 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -35.41 72.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 177.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 71' ' ' ILE . 18.9 m -118.91 4.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.234 0.54 . . . . 0.0 111.153 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 52.0 t80 -104.57 139.49 39.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.496 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.07 -41.06 91.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.28 -149.49 27.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.201 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.77 125.31 44.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -72.22 74.56 0.97 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.421 . . . . 0.0 110.619 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -145.83 -69.89 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.884 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -80.25 68.59 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 111.253 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -147.85 11.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.347 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.0 m170 56.08 -103.23 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.369 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -148.47 27.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.456 -179.234 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.623 0.249 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.519 ' OG ' ' HB3' ' A' ' 5' ' ' GLU . 15.0 t -78.99 105.19 10.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -107.08 102.96 12.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.311 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' HB3' ' HE3' ' A' ' 55' ' ' LYS . 89.9 mt 59.03 26.04 14.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.519 ' HB3' ' OG ' ' A' ' 2' ' ' SER . 5.6 tp10 -86.62 143.19 27.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.17 0.51 . . . . 0.0 111.244 -176.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.412 HG12 ' CG1' ' A' ' 15' ' ' ILE . 47.7 mt -92.16 108.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.445 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -91.87 146.11 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.888 0.375 . . . . 0.0 110.158 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.73 128.88 47.85 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.385 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.02 -164.77 12.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 173.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.78 99.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.261 0.531 . . . . 0.0 110.776 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m120 60.36 16.8 6.56 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.374 0.421 . . . . 0.0 111.847 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 27' ' ' THR . 7.5 ptpp? -129.19 139.37 51.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.959 0.409 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.27 114.86 27.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -121.32 127.79 51.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.667 0.746 . . . . 0.0 111.309 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.661 HD12 HG13 ' A' ' 52' ' ' VAL . 49.9 mt -93.11 128.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.689 175.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.17 -146.08 13.07 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.16 -35.8 0.93 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.193 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.462 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 19.4 t70 -122.77 168.58 12.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.78 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.036 0.446 . . . . 0.0 109.838 176.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.24 -33.2 24.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.436 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 93.6 m-20 -88.52 37.04 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.534 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.32 109.48 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.618 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.06 -21.39 29.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.247 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.705 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.2 106.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.46 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.26 0.552 . . . . 0.0 110.346 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 17.3 tt -122.27 124.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.788 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 12' ' ' LYS . 40.5 p -108.32 139.87 42.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 34.9 p90 -129.35 127.31 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.2 tpt180 -114.55 168.12 10.14 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.23 111.06 23.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.662 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -87.25 -23.01 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.77 0.795 . . . . 0.0 108.883 171.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.4 t70 -140.36 164.7 29.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.094 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.96 -24.85 67.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.682 0.277 . . . . 0.0 110.947 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 14.6 m120 -127.31 17.79 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.542 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.5 mt-10 -135.38 122.18 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.07 150.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.571 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.8 p-10 -121.75 139.27 53.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.994 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -87.07 105.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -70.03 -65.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.657 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.606 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 65.9 t60 -127.67 130.85 49.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.354 -173.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 m -121.7 97.69 5.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.465 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -106.95 98.88 1.36 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.221 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.522 HG22 ' HB1' ' A' ' 24' ' ' ALA . 28.2 t -116.64 124.58 72.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -69.54 124.33 23.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.17 35.46 0.99 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -174.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.43 -32.85 58.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.34 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.51 5.6 51.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -178.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 35.19 91.67 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.864 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.91 119.25 4.59 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.561 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 pm0 -137.57 170.13 16.6 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -68.57 -14.98 67.93 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.023 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 15' ' ' ILE . 53.6 t -49.19 -37.44 10.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 122.96 0.504 . . . . 0.0 111.785 178.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.41 91.03 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.801 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -76.4 -25.57 54.68 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.656 -0.32 . . . . 0.0 111.037 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 4' ' ' LEU . 6.6 mtpm? -58.55 -46.19 87.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 15' ' ' ILE . 97.5 mt -60.98 -49.25 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.838 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.1 -44.1 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.623 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -57.37 -42.87 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.435 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.71 88.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.83 -48.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 71' ' ' ILE . 98.3 t -62.54 -38.93 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.35 -48.36 80.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.199 0.523 . . . . 0.0 109.979 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -69.02 -26.61 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -54.26 19.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -62.41 -35.19 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 109.829 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -53.35 -47.69 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.957 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -106.2 9.13 32.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.417 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.6 t30 59.36 69.9 0.68 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 110.158 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 64.3 mt -121.35 139.5 53.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.533 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.907 ' HD3' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -85.87 145.53 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 174.537 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 61' ' ' VAL . 68.3 mt -113.78 120.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.321 0.582 . . . . 0.0 112.373 -174.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -127.23 149.66 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.063 168.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.81 135.28 50.81 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.124 -0.36 . . . . 0.0 111.221 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -85.08 -42.83 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.412 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 87.0 m -63.59 125.17 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -59.17 -38.13 79.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.371 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.61 -40.43 94.79 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.033 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.26 -41.95 16.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -58.79 -49.93 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.542 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -16.3 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.12 -40.03 71.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -77.38 -23.85 50.67 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.83 0.347 . . . . 0.0 110.597 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -63.17 -39.74 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.518 . . . . 0.0 109.803 173.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -79.26 -48.9 13.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.59 97.37 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.61 -19.26 65.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.456 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.6 m -66.08 -23.47 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.8 8.5 41.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -65.92 -25.09 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 110.572 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -48.32 73.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.472 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 m -85.14 -21.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.59 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -78.59 141.99 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.182 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.38 99.06 9.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.231 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.37 150.7 35.45 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.89 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.0 -23.92 38.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.371 . . . . 0.0 110.426 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 1.2 pm0 -90.85 141.63 28.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.528 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -79.28 116.93 19.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.43 -7.56 58.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.431 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.5 m170 70.17 3.31 4.34 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.221 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -177.56 109.39 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -89.61 66.17 7.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.952 0.406 . . . . 0.0 110.381 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.194 178.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 1' ' ' MET . 25.5 ttt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.559 0.219 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 63.69 105.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.473 0.654 . . . . 0.0 112.019 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 15' ' ' ILE . 39.4 m-80 -77.51 111.81 13.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.63 -16.28 34.91 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -87.89 141.24 28.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.636 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.19 109.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -79.44 115.8 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.842 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -90.86 122.82 33.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.73 -165.6 11.8 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.059 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.2 mp0 -60.22 95.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.704 0.402 . . . . 0.0 110.762 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 57.12 23.08 8.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.845 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 25.2 pttm -142.64 144.4 32.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.295 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -113.74 128.36 56.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -142.12 156.13 45.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.704 -175.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD21 ' A' ' 56' ' ' LEU . 57.6 mt -129.8 128.16 64.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.621 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.93 -170.31 42.07 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.683 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.92 -30.01 21.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.142 0.496 . . . . 0.0 110.279 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -160.97 161.05 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -15.36 63.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.421 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -73.44 -15.7 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 110.536 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -161.88 78.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.549 . . . . 0.0 110.015 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.53 149.99 28.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.106 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.88 -24.47 38.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -163.07 126.81 2.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.225 177.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -128.59 127.34 42.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.289 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.92 125.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 59.0 p -109.29 137.46 47.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.707 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.15 147.21 45.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG3' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -154.05 150.29 28.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -82.67 121.02 26.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.502 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 8.0 m -85.79 -41.93 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.636 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . 22.7 m-20 -144.73 -83.4 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -105.39 -80.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.529 -171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.85 4.6 14.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.434 0.635 . . . . 0.0 109.467 -177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 4.3 mp0 -89.82 117.53 28.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.415 -173.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.35 124.71 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.738 174.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' HG13 ' A' ' 72' ' ' ILE . 2.3 p-10 -102.37 135.14 44.51 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.335 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.22 96.56 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 23.2 t70 -53.78 -57.9 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.308 -174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 37.8 p-80 -150.45 146.26 26.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.855 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.53 HG22 HG23 ' A' ' 43' ' ' VAL . 3.1 m -112.98 85.61 2.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -76.97 82.8 1.08 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.023 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' THR . 61.0 t -109.25 132.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -89.41 134.94 33.86 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -97.46 14.56 25.97 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.471 -174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.514 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -162.71 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.674 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.13 178.26 26.77 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.386 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' H ' ' HB ' ' A' ' 52' ' ' VAL . . . 94.33 -47.54 2.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.383 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.88 -64.79 0.7 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 111.654 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.62 -29.56 4.66 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.78 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 HD12 ' A' ' 15' ' ' ILE . 48.5 t -65.07 -37.32 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.772 -0.214 . . . . 0.0 111.398 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.37 43.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.561 -176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.81 -23.09 61.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.313 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -65.4 -51.85 57.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.094 0.474 . . . . 0.0 110.265 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 15' ' ' ILE . 97.3 mt -66.6 -38.63 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.202 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 56.9 tp -63.07 -42.32 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.559 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -57.36 -47.14 82.41 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.861 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.01 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.57 -44.32 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.395 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.0 t -62.95 -40.6 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.74 -45.05 95.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.652 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -65.67 -37.18 85.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.312 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.95 77.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 91' ' ' VAL . 45.7 ttp85 -60.93 -44.7 96.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 0.0 110.416 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.35 -46.41 86.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.697 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -92.14 3.24 55.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.512 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 58.73 70.37 0.66 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.841 0.829 . . . . 0.0 110.339 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -121.56 174.64 6.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.91 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.801 ' HD3' HD21 ' A' ' 93' ' ' LEU . 55.9 mttp -124.05 130.05 51.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 61' ' ' VAL . 59.0 mt -95.55 127.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.954 -176.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 37' ' ' ASN . 11.9 pt -120.39 132.51 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.722 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.08 115.61 27.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.388 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 m -88.67 -25.48 22.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 47.5 t -91.67 139.23 30.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.554 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 m -68.01 -31.03 70.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.311 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -64.67 -51.01 64.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.915 0.388 . . . . 0.0 110.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.71 84.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.68 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -56.51 -51.43 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.689 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -69.02 -16.05 63.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mtm -84.91 -49.49 8.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.062 0.458 . . . . 0.0 110.252 175.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 57' ' ' LEU . 90.3 mt -73.53 -39.24 64.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.722 -175.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -67.38 -29.65 69.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.927 0.394 . . . . 0.0 111.627 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -97.94 -32.98 11.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.46 124.62 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.997 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.19 -16.11 61.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.607 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -63.51 -29.61 70.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.41 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -106.12 -8.39 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.684 0.278 . . . . 0.0 111.431 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HG2' ' HD2' ' A' ' 92' ' ' TYR . 36.3 mt-30 -82.48 74.97 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.535 0.683 . . . . 0.0 112.235 -174.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -141.9 -45.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.173 170.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 65' ' ' ARG . 29.6 m -97.02 4.9 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.161 174.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.514 ' HD2' ' HG2' ' A' ' 89' ' ' GLN . 59.9 t80 -102.03 138.5 38.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.913 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.801 HD21 ' HD3' ' A' ' 70' ' ' LYS . 86.8 mt -82.27 88.58 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.215 0.531 . . . . 0.0 110.942 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.94 -99.93 0.16 Allowed Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mp 57.38 67.81 0.93 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 122.702 0.401 . . . . 0.0 111.291 174.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.27 94.62 7.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.071 0.463 . . . . 0.0 109.8 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.06 99.94 11.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 172.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.69 125.88 28.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.292 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -101.83 168.68 9.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.723 174.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -77.46 83.38 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.408 0.623 . . . . 0.0 111.198 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -129.06 -64.99 0.89 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.647 177.163 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptm . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 121.018 0.437 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.537 ' HB3' ' HA ' ' A' ' 17' ' ' ASP . 9.0 t -166.94 -171.22 1.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -92.43 135.87 33.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.329 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 29.0 tp -79.39 11.43 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.59 0.709 . . . . 0.0 110.311 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -84.98 155.3 21.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 66.3 mt -70.62 115.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.177 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -93.2 125.02 37.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.56 176.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -81.66 145.53 30.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.385 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.4 -166.78 13.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.512 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -64.94 99.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.76 0.28 . . . . 0.0 111.223 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.56 21.88 12.45 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.293 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 27' ' ' THR . 20.4 ptmt -145.87 150.93 37.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.173 0.511 . . . . 0.0 111.393 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 51.6 m-85 -122.59 119.09 29.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 171.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 33.8 p90 -128.76 131.78 47.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.681 0.753 . . . . 0.0 111.843 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 56' ' ' LEU . 71.8 mt -99.73 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.547 171.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.57 135.47 7.87 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 119.988 -1.101 . . . . 0.0 112.849 -176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 32.9 t70 -69.49 -32.13 70.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.993 0.901 . . . . 0.0 108.583 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.2 t70 -138.88 157.6 45.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.385 -1.279 . . . . 0.0 107.568 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.63 -20.38 58.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.232 0.469 . . . . 0.0 111.557 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -87.59 -21.35 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.307 0.575 . . . . 0.0 109.701 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 77.7 m-20 -115.05 46.25 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.169 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.52 100.47 0.67 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.528 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.15 -55.86 28.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -127.04 112.2 14.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 12.7 pt-20 -125.92 134.9 51.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 60' ' ' VAL . 17.0 tt -121.88 132.72 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.215 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 12' ' ' LYS . 68.7 p -118.38 141.12 48.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.613 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -143.93 149.38 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -126.59 153.99 44.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -89.0 102.81 15.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.737 174.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -75.08 -31.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.1 168.25 20.17 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -80.84 57.11 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.754 0.311 . . . . 0.0 110.223 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.85 -24.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 57.8 mt-10 -112.55 132.66 55.0 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.959 0.409 . . . . 0.0 110.608 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.5 142.13 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.303 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 21.7 p-10 -114.43 138.26 50.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 0.0 110.445 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 107.65 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.34 -44.0 59.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.614 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 72.1 t60 -159.34 146.34 16.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.157 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 m -139.32 100.64 4.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.035 0.445 . . . . 0.0 110.02 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.34 95.97 1.15 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.495 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.81 98.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.943 0.402 . . . . 0.0 110.725 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -88.42 142.44 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -121.28 108.64 13.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.579 0.704 . . . . 0.0 111.393 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.11 2.07 14.79 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.853 174.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -101.58 -37.66 8.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.635 -172.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.5 0.87 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.688 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.29 96.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.434 -0.413 . . . . 0.0 113.027 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -84.9 3.87 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.267 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . 98.97 45.28 2.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.294 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.9 t -75.07 -46.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.363 0.601 . . . . 0.0 109.853 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.23 -26.25 71.51 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.969 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.54 -37.22 82.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.543 0.211 . . . . 0.0 110.508 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' O ' HD11 ' A' ' 6' ' ' ILE . 7.5 mtpm? -60.22 -47.05 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 15' ' ' ILE . 84.4 mt -57.15 -60.83 3.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.655 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.04 -33.03 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.573 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 26.1 ttpp -56.94 -57.15 13.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.496 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.05 82.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 26' ' ' ILE . 93.7 t -63.01 -46.4 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.255 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 88' ' ' TYR . 81.9 t -67.51 -39.06 81.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.725 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 47.2 mt-10 -59.03 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.59 -32.22 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.87 82.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.16 -33.29 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.67 -51.77 52.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.268 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.586 ' HB3' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -93.99 4.78 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.78 -172.021 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 59.97 40.63 18.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.75 0.786 . . . . 0.0 110.135 -178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.586 ' HG ' ' HB3' ' A' ' 67' ' ' ASN . 79.8 mt -84.45 136.29 33.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.552 -178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 93' ' ' LEU . 48.5 mtmt -90.85 121.99 33.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.57 175.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.3 mt -91.83 114.75 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.877 -173.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 32.8 pt -115.03 160.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.78 137.29 51.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.265 -0.574 . . . . 0.0 112.052 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -91.8 -51.87 5.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 51.4 m -69.05 121.89 17.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 t -62.09 -28.74 69.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.126 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -58.32 -56.17 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.456 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.41 74.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.974 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.15 -35.45 80.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.065 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -68.99 -35.2 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.72 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.5 mtp -67.78 -45.92 73.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.57 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.62 -31.11 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.885 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.89 -49.43 70.52 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.991 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -107.41 153.31 22.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.143 0.497 . . . . 0.0 110.956 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.03 -7.74 59.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.893 -170.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 p -66.96 -51.88 49.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.444 -174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CD1' HG21 ' A' ' 61' ' ' VAL . 14.6 m-85 -92.24 -7.81 47.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -174.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 tt0 -70.5 -15.95 62.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.509 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.42 -55.11 37.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.888 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.7 m -102.51 13.73 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.482 . . . . 0.0 111.172 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 21.7 t80 -84.39 127.23 33.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HD2' ' A' ' 70' ' ' LYS . 74.8 mt -104.35 97.48 7.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.527 177.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.75 -49.95 0.66 Allowed Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.0 mp -128.47 166.13 19.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -103.71 -163.03 0.95 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 177.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.51 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 54.7 t-80 -63.14 93.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 169.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -67.11 -25.56 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.182 -166.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -74.8 101.78 4.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -67.33 154.32 41.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.107 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 67.95 94.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.834 0.709 . . . . 0.0 109.631 -175.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 p80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.763 -174.307 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.731 0.301 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -77.97 160.37 28.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.66 12.84 28.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.588 -172.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt 61.71 57.5 2.21 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -172.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.63 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 37.1 mp0 -60.47 132.6 54.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.885 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.689 HD11 ' HG2' ' A' ' 55' ' ' LYS . 63.4 mt -75.39 108.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.118 173.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' A' ' 5' ' ' GLU . 32.3 mmtp -86.48 132.66 33.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.401 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.72 139.82 56.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.61 29.9 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.67 94.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.237 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.468 HD22 ' NH2' ' A' ' 29' ' ' ARG . 74.4 m-20 60.89 22.87 12.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.344 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.75 127.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.477 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -98.96 137.64 37.22 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -139.78 130.55 25.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.366 0.603 . . . . 0.0 111.704 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.704 HG13 HD21 ' A' ' 56' ' ' LEU . 63.4 mt -92.33 112.56 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.487 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.65 162.87 26.27 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -82.15 -16.14 50.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.15 0.5 . . . . 0.0 110.398 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -158.47 163.11 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.21 -26.39 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 118.087 0.403 . . . . 0.0 110.61 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -78.49 -7.6 57.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.541 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -127.12 25.23 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.277 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.41 99.64 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.887 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.53 -15.05 56.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.556 -176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -153.7 104.55 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -117.03 139.39 50.75 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.595 176.028 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -129.95 131.09 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.38 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.685 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 25.4 p -100.63 139.72 35.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -132.53 55.5 1.88 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.854 0.835 . . . . 0.0 108.804 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' NH2' HD22 ' A' ' 11' ' ' ASN . 3.7 mtp85 -77.11 154.93 32.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.203 -169.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 68.6 m-85 -83.43 112.05 19.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.922 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -83.68 -17.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.48 0.657 . . . . 0.0 109.233 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.604 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 6.6 t70 -150.46 -160.48 1.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.211 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.61 -41.64 53.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.933 0.333 . . . . 0.0 111.785 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -110.17 -25.95 9.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.738 0.78 . . . . 0.0 110.049 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 38.7 mp0 -84.42 102.69 12.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.242 -172.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 71' ' ' ILE . 35.6 pt -97.42 143.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.435 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -128.21 139.36 52.5 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.518 -177.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.685 ' HA ' ' O ' ' A' ' 27' ' ' THR . 4.1 mp -87.6 91.02 3.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.647 171.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.989 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 11.1 p-10 -89.61 -10.22 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.13 -174.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 66.1 t60 -147.22 135.56 21.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.42 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 m -136.27 92.92 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -102.93 62.8 0.45 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.618 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' HB1' ' A' ' 24' ' ' ALA . 98.7 t -102.8 118.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.669 0.271 . . . . 0.0 111.159 -175.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 m -71.34 135.17 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.815 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -129.75 -2.58 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.088 0.47 . . . . 0.0 111.066 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.3 mp0 -56.45 -39.81 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.4 tp -68.46 -32.25 72.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.229 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.92 42.64 99.76 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.072 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.92 72.74 1.79 Allowed Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.931 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 54.45 48.92 19.48 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.017 0.527 . . . . 0.0 111.274 175.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.76 74.32 0.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.793 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.77 -46.8 95.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.932 0.396 . . . . 0.0 110.414 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.95 -32.31 73.31 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.891 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 85' ' ' GLU . 51.6 tttp -67.28 -36.15 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG2' HD11 ' A' ' 6' ' ' ILE . 4.7 ttmp? -60.84 -48.3 82.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.344 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.704 HD21 HG13 ' A' ' 15' ' ' ILE . 78.5 mt -66.49 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.257 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.32 -36.74 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.53 -45.61 91.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.86 94.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.42 -51.9 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 89.0 t -61.39 -42.06 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 20.1 tt0 -64.25 -45.38 88.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.84 -176.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -72.84 -36.75 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.69 78.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.491 . . . . 0.0 110.213 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -62.68 -35.48 79.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.076 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.6 mt-10 -65.85 -53.01 45.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.746 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.553 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 10.3 m120 -85.25 2.69 42.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.082 -170.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.45 37.31 6.22 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.228 0.537 . . . . 0.0 110.374 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -88.36 169.96 11.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HD2' ' HG3' ' A' ' 35' ' ' GLU . 86.7 mttt -113.18 130.75 56.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 61' ' ' VAL . 50.4 mt -106.69 120.68 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.345 0.593 . . . . 0.0 111.93 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.9 pt -123.07 161.2 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.942 170.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.8 129.62 40.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.081 0.467 . . . . 0.0 111.675 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 34.2 t -85.62 -44.81 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.088 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 65.8 m -66.47 122.11 16.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.259 175.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 t -61.73 -30.18 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 81' ' ' MET . 64.6 t80 -59.33 -58.17 9.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.96 85.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 5.2 tmmm? -61.11 -40.74 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.875 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 49.1 t60 -75.42 -21.76 57.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.782 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 89.0 mtp -69.45 -34.69 74.78 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.33 -30.81 65.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.402 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 80' ' ' HIS . 45.4 mt-10 -70.84 -37.68 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -57.28 -52.28 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.808 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 11.6 tt0 -114.75 117.19 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -168.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -74.26 0.62 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.048 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 t -82.75 -4.5 58.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.425 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 78.5 m-85 -102.59 9.07 39.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.438 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -77.52 2.0 17.68 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -67.18 -58.26 5.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.12 -3.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.315 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 64.3 t80 -83.66 114.13 21.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.421 HD11 ' HD3' ' A' ' 70' ' ' LYS . 91.8 mt -65.31 -33.81 76.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -176.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 92' ' ' TYR . . . 81.97 155.45 15.47 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.334 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.43 -62.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -141.06 91.32 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.2 112.91 2.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 111.049 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.99 108.26 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 -177.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -127.73 -80.7 0.59 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 101' ' ' HIS . 26.6 t-80 -178.46 -13.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.765 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' HIS . 96.6 m-70 75.34 -66.38 0.29 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.399 0.68 . . . . 0.0 110.113 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.246 0.902 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.113 0.482 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.15 120.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.89 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.42 124.39 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.724 0.297 . . . . 0.0 110.498 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -87.88 116.17 25.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.8 -168.33 13.56 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.26 94.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.447 0.299 . . . . 0.0 111.109 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 55.65 26.71 9.59 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.224 0.535 . . . . 0.0 111.144 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.01 141.15 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.355 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -120.05 124.77 46.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . 48.2 p90 -133.02 142.36 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.336 0.589 . . . . 0.0 111.932 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.31 119.18 59.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.523 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.94 -173.08 42.84 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 22.3 m-20 -74.48 -49.52 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.74 -164.39 2.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.17 -35.49 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -80.67 -39.13 27.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . 6.2 m-20 -88.1 31.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.253 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 92.66 4.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.54 -31.85 62.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.985 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -145.72 114.36 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 14' ' ' TYR . 1.1 pp20? -137.28 155.11 49.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.934 0.397 . . . . 0.0 111.116 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 60' ' ' VAL . 15.9 tt -139.72 141.95 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.657 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 39' ' ' ASP . 81.0 p -123.56 146.89 47.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.662 0.268 . . . . 0.0 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 31.9 p90 -144.74 138.1 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 37' ' ' ASN . 9.1 ptp180 -128.98 154.99 46.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -83.39 100.45 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.64 -38.86 46.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.772 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -125.45 -79.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.262 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.6 -86.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.495 0.188 . . . . 0.0 110.841 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -88.43 -1.18 57.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.246 0.546 . . . . 0.0 110.14 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -88.36 119.97 29.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 pt -117.68 146.56 21.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.822 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 26.5 p-10 -118.15 142.06 47.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.277 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.1 mt -75.49 98.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 12.1 t70 -66.16 -54.92 19.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.087 -172.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -144.03 143.5 31.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -129.07 90.16 2.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.921 0.391 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.78 71.88 2.7 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.664 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.591 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.4 t -112.49 119.2 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.685 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.985 0.422 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.32 58.48 Favored Glycine 0 C--O 1.225 -0.427 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.132 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -63.36 -37.8 88.68 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 117.071 0.436 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.9 -39.68 87.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.964 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.08 -46.31 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.661 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -57.23 -45.65 83.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.229 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -55.91 -48.77 75.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.894 0.378 . . . . 0.0 110.198 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.76 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.467 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 26' ' ' ILE . 99.3 t -64.38 -50.07 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.386 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 88' ' ' TYR . 96.5 t -63.54 -41.93 94.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 110.853 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.66 -48.24 82.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.128 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -64.23 -42.7 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.158 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.41 90.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.063 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -58.32 -47.14 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.498 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.12 -18.8 62.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 1.83 39.24 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.242 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -86.54 144.56 27.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -100.89 128.66 46.83 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.479 HD12 HG21 ' A' ' 91' ' ' VAL . 52.9 mt -104.01 118.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.473 0.654 . . . . 0.0 112.136 -174.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -116.66 175.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.92 131.83 26.01 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.173 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 m -89.89 -18.97 25.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.04 128.81 42.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.389 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 p -61.83 -33.55 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.513 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -55.18 -54.21 46.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.69 75.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.03 -43.94 91.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.459 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -78.03 -28.28 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.457 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 66.8 mtm -68.76 -45.99 69.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.732 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.39 -21.56 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.565 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.0 -43.06 88.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.043 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.98 -18.76 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.506 -177.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.28 92.74 6.9 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 -174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.05 -6.09 39.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 m -70.0 -20.59 63.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 61' ' ' VAL . 29.3 m-85 -109.91 25.37 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.74 -8.38 42.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.875 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.71 -53.0 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.19 0.519 . . . . 0.0 110.909 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 71' ' ' ILE . 27.8 m -102.42 -12.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.882 -172.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -87.24 125.8 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.555 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.566 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 13.6 tt0 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HG2' ' A' ' 55' ' ' LYS . 58.3 mt -82.82 125.7 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.109 0.481 . . . . 0.0 111.412 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HE3' ' OE2' ' A' ' 5' ' ' GLU . 22.0 mmtp -99.44 139.49 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 171.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -107.79 144.83 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.466 0.651 . . . . 0.0 112.004 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.84 -176.98 15.71 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.15 112.98 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.505 0.652 . . . . 0.0 110.415 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.7 m120 67.31 15.21 9.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.067 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB3' HG22 ' A' ' 27' ' ' THR . 18.5 ptpt -147.08 144.99 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.197 0.523 . . . . 0.0 111.995 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -125.16 128.0 47.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 28.6 p90 -133.55 129.23 36.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.406 0.622 . . . . 0.0 111.408 -175.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 56' ' ' LEU . 68.1 mt -89.64 116.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.36 174.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.66 173.46 35.78 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.65 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -76.97 -49.61 15.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.43 168.12 13.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.855 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.25 -30.6 69.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -87.35 10.91 15.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.664 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.86 68.64 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.406 0.622 . . . . 0.0 109.823 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.0 124.36 49.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.116 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.49 -23.22 21.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.344 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -145.98 102.49 3.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.604 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.7 120.66 38.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.91 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.9 135.34 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.5 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.546 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 62.0 p -117.44 157.06 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.87 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 40.9 p90 -152.69 141.98 21.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 110.327 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.518 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 51.6 ttp85 -128.32 150.83 49.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.95 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.58 98.77 10.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 72' ' ' ILE . 8.2 m -76.37 -38.94 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -151.82 78.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.17 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.453 1.096 . . . . 0.0 112.785 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 6.29 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.963 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -124.57 122.03 36.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.115 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 pt -118.17 133.29 65.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.146 0.498 . . . . 0.0 111.129 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.518 ' OD1' ' HB3' ' A' ' 29' ' ' ARG . 1.6 p-10 -100.38 143.94 29.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 75' ' ' CYS . 3.4 mp -112.6 106.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -96.06 -52.35 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.761 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.546 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 58.4 t60 -103.89 125.94 50.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.429 0.633 . . . . 0.0 111.176 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -144.5 101.51 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.132 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.69 99.97 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.664 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 59.4 t -119.49 127.52 75.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.4 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.109 0.48 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.7 -47.28 88.06 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.703 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 6' ' ' ILE . 40.8 ttmt -68.23 -45.83 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.937 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 15' ' ' ILE . 85.6 mt -66.24 -45.84 79.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.471 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -58.73 -49.2 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -59.53 -37.86 79.48 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.76 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.7 93.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 92.3 t -72.01 -39.92 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 57' ' ' LEU . 89.2 t -69.52 -35.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.58 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 44.6 tt0 -60.57 -49.69 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 15.1 t-80 -50.92 -45.3 60.37 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.583 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 -39.41 79.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -68.01 -41.32 82.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 -178.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -56.23 -53.36 58.07 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.096 0.474 . . . . 0.0 111.155 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 80.5 m-20 -101.08 10.25 41.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.398 -172.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.61 49.05 21.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.34 0.59 . . . . 0.0 111.227 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 76.3 mt -89.12 137.95 31.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.26 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.621 ' HD3' HD11 ' A' ' 93' ' ' LEU . 63.2 mttp -81.5 140.52 34.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.996 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.494 HG23 HD13 ' A' ' 38' ' ' ILE . 70.2 mt -111.93 126.35 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.262 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 31' ' ' VAL . 20.3 pt -123.41 129.58 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.784 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.32 134.61 50.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.935 0.397 . . . . 0.0 111.479 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.622 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 31.8 t -111.68 -5.49 14.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.598 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 4.6 p -97.23 117.11 30.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.43 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.0 t -57.84 -33.99 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.569 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.79 -51.69 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.546 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -75.53 -38.71 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.8 -42.98 72.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.546 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 25.5 m80 -65.55 -27.53 68.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.69 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.6 mtm -84.96 -28.81 25.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 93.2 mt -71.32 -41.59 69.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.78 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.96 -18.39 56.06 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 110.767 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 64.0 tttm -69.91 -46.27 65.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.594 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 30.3 tt0 -111.45 150.68 29.51 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.114 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -81.55 -10.75 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.869 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.409 ' H ' ' HG2' ' A' ' 85' ' ' GLU . 5.2 m -74.46 -7.52 53.26 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 21.6 m-85 -115.03 -13.85 11.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.626 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.98 -8.34 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -166.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.97 -44.38 63.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.79 -24.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.895 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -76.85 123.89 26.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.621 HD11 ' HD3' ' A' ' 70' ' ' LYS . 83.1 mt . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.99 96.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.52 128.75 33.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.108 0.48 . . . . 0.0 109.925 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -96.88 121.99 39.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.693 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.32 -179.13 17.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.78 115.57 13.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 117.343 0.571 . . . . 0.0 110.485 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 65.38 19.16 11.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.682 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 27' ' ' THR . 57.3 pttt -153.49 143.66 22.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.344 0.592 . . . . 0.0 112.216 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.7 127.83 53.94 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -134.09 140.17 46.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.203 0.525 . . . . 0.0 111.237 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 56' ' ' LEU . 69.5 mt -114.57 117.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.065 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.78 163.7 30.89 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -71.85 -40.59 68.91 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.897 0.379 . . . . 0.0 110.125 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -122.11 161.8 22.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.81 -27.54 62.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 110.604 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -77.52 -35.01 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.291 0.567 . . . . 0.0 109.95 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -105.75 49.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.956 0.884 . . . . 0.0 109.615 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.2 117.16 14.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.693 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.53 -33.85 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.15 131.1 10.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.73 142.19 50.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.041 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 38' ' ' ILE . 14.8 tt -124.6 128.37 73.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.5 p -109.25 138.82 45.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 12.1 p90 -145.3 141.84 28.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.415 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 29' ' ' ARG . 10.0 ptm85 -136.04 137.7 41.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -176.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.08 96.87 2.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.921 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 72' ' ' ILE . 30.2 m -81.86 -26.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -141.7 -159.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.841 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.83 -57.42 12.12 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.266 0.354 . . . . 0.0 111.951 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -127.99 5.66 5.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.39 120.19 30.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.367 . . . . 0.0 110.736 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 pt -108.81 135.25 48.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.099 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 23.2 t-20 -109.17 126.34 53.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.054 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.477 HD13 HD11 ' A' ' 26' ' ' ILE . 70.8 mt -96.39 102.37 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 3.9 p-10 -78.29 -34.91 48.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.813 -174.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 28.4 p-80 -155.14 153.3 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.36 0.6 . . . . 0.0 111.228 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 43' ' ' VAL . 7.7 m -128.74 96.41 4.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.003 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -79.08 81.41 1.42 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.05 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.482 HG23 HG22 ' A' ' 41' ' ' THR . 48.2 t -100.2 112.92 34.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.702 0.287 . . . . 0.0 110.452 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.318 -0.773 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.472 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.197 0.522 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.11 -24.38 75.91 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.036 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -69.83 -37.93 76.38 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -64.23 -37.75 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.195 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 15' ' ' ILE . 81.6 mt -65.23 -48.38 73.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.68 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.1 -44.22 87.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.835 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -56.78 -45.06 82.37 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.75 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.08 99.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.21 -48.82 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.578 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 88' ' ' TYR . 99.5 t -63.34 -41.96 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.057 0.455 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.8 tt0 -62.05 -45.18 94.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 19.9 t60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.48 -43.36 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.297 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -62.81 -35.94 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.775 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.1 mt-10 -60.07 -44.52 94.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.13 0.49 . . . . 0.0 110.468 176.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -102.32 14.5 31.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.365 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.0 m120 62.22 29.18 17.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.021 0.439 . . . . 0.0 111.407 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 64' ' ' ALA . 83.2 mt -78.47 156.23 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 3.6 mptp? -107.94 137.61 45.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.343 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.19 123.62 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 111.626 -172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.5 pt -125.5 136.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.014 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.81 123.83 24.16 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.235 -174.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 3.2 p -87.6 -22.57 24.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.228 0.537 . . . . 0.0 110.268 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.1 t -67.81 108.97 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.785 175.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 m -58.23 -35.81 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.668 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.1 -57.19 13.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.951 0.405 . . . . 0.0 110.861 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.4 84.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -58.0 -45.55 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.045 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -73.07 -17.54 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.135 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.6 mtm -81.6 -35.08 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.32 -34.58 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 109.573 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -70.58 -16.67 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -72.92 -59.63 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.07 145.42 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 111.833 -170.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.652 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 2.9 m-20 -75.3 -4.34 38.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.758 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.5 t -63.1 -23.38 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 0.0 110.036 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CD2' HG11 ' A' ' 61' ' ' VAL . 2.2 m-85 -112.1 9.08 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.366 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.652 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 6.3 tp60 -79.58 -19.14 50.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.218 -170.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.61 -17.61 25.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.814 -0.553 . . . . 0.0 111.313 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 61' ' ' VAL . 15.6 m -101.61 -38.15 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.07 142.51 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.074 0.464 . . . . 0.0 109.775 177.099 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.498 HD11 ' HG3' ' A' ' 55' ' ' LYS . 61.7 mt -83.56 106.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.244 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.08 117.0 18.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -96.09 141.9 28.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.258 0.551 . . . . 0.0 111.049 -175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.29 -171.28 14.17 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.923 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.39 109.47 6.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.049 0.425 . . . . 0.0 110.662 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m120 71.73 4.77 5.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.629 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.53 137.75 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.396 0.617 . . . . 0.0 112.151 -175.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -122.05 111.41 16.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 28.3 p90 -126.35 127.35 45.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.535 0.683 . . . . 0.0 111.935 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.87 118.61 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.361 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 177.58 175.67 44.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.75 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.33 -10.81 29.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.309 0.576 . . . . 0.0 110.108 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -156.48 167.54 30.13 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.48 -31.93 72.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.549 . . . . 0.0 110.057 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.29 -24.18 27.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.056 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -108.2 49.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.92 0.866 . . . . 0.0 109.156 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -95.61 112.16 23.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.431 175.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.7 -8.19 54.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -154.95 89.37 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 178.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 14' ' ' TYR . 49.0 tt0 -114.14 118.11 33.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 38' ' ' ILE . 20.2 tt -115.78 131.14 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.093 0.473 . . . . 0.0 110.17 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 82.6 p -125.72 140.63 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -122.46 132.88 54.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.934 0.397 . . . . 0.0 110.142 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 14.2 ptm180 -122.32 144.17 49.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.275 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.88 136.77 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.238 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 72' ' ' ILE . 10.6 m -110.98 -48.66 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.214 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.62 -91.21 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -128.22 -77.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -95.94 8.45 43.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -108.6 123.68 49.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -111.98 129.34 67.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.364 0.602 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.0 t-20 -96.71 128.93 44.13 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.134 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 26' ' ' ILE . 54.4 mt -103.14 98.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -97.06 -22.03 17.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 25.7 t60 -124.58 113.95 18.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.596 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.599 HG21 ' HB2' ' A' ' 78' ' ' ALA . 23.7 m -138.87 90.93 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.486 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.85 74.68 2.17 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.406 -175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 HG22 ' A' ' 41' ' ' THR . 77.2 t -94.82 124.76 47.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 -178.277 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.14 -41.13 99.37 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.374 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -73.08 -28.45 62.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.703 0.287 . . . . 0.0 110.943 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 6' ' ' ILE . 48.9 tptt -58.1 -46.6 85.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.942 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' A' ' 24' ' ' ALA . 71.7 mt -61.97 -53.66 52.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.923 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.8 mp -58.02 -42.18 84.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.991 -175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.44 -40.25 93.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.442 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.23 79.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 26' ' ' ILE . 76.0 t -72.77 -44.64 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.635 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 57' ' ' LEU . 83.2 t -59.17 -35.96 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -56.32 -52.18 65.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.447 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -72.39 -31.13 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -65.1 -60.39 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 90' ' ' ASP . 39.1 ttm180 -57.68 -36.81 72.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -55.47 -45.66 76.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.591 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.8 m120 -97.94 6.44 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.21 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.86 17.98 10.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.729 0.776 . . . . 0.0 110.529 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -68.88 142.22 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.852 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -111.71 138.05 48.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.676 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.0 mt -97.84 125.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.16 0.505 . . . . 0.0 112.131 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 10.1 pt -121.55 99.08 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.09 169.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.474 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . -87.78 135.22 33.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -174.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -103.09 -12.15 17.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.667 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 6.4 p -73.19 106.79 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.702 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -59.14 -35.02 72.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.36 -47.53 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.809 0.338 . . . . 0.0 111.27 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.645 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -80.14 -36.85 34.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.432 -176.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 63.2 tttm -62.27 -32.02 72.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.472 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -68.25 -18.42 64.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.667 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.4 mtt -74.96 -39.74 61.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 88' ' ' TYR . 28.5 mt -66.44 -36.69 83.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.053 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 31.3 mm-40 -60.51 -36.58 78.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -93.13 -57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 20.7 tt0 -77.95 107.81 10.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.586 0.708 . . . . 0.0 110.458 -175.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.37 -29.58 67.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.034 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.7 m -58.74 -23.63 60.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 20.5 m-85 -81.65 -13.49 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.679 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 42.6 mt-30 -80.22 9.19 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.141 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' CG ' HH21 ' A' ' 65' ' ' ARG . 15.0 t70 -67.05 -42.4 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.629 0.728 . . . . 0.0 109.367 172.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -108.34 -20.46 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.679 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 63.1 t80 -77.01 136.0 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.583 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.123 0.487 . . . . 0.0 110.252 179.154 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.124 0.488 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.12 106.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -91.25 113.2 25.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -78.31 158.71 28.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 111.708 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.46 177.81 31.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 103.38 2.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.249 0.524 . . . . 0.0 110.698 -178.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 72.14 19.93 4.39 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.176 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.25 148.73 23.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.753 175.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -114.42 135.35 54.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 21.7 p90 -139.98 147.28 40.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HG13 ' A' ' 52' ' ' VAL . 29.1 mt -109.37 122.73 64.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.485 0.66 . . . . 0.0 110.084 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.92 -178.39 31.65 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.46 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.667 ' HB2' HD21 ' A' ' 21' ' ' ASN . 11.6 m-20 -69.58 -39.43 77.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.775 0.787 . . . . 0.0 111.316 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -150.67 -168.6 3.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -92.59 -12.11 32.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.811 0.338 . . . . 0.0 111.601 -176.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -86.09 -22.73 26.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.667 HD21 ' HB2' ' A' ' 17' ' ' ASP . 30.4 p-10 -125.43 27.23 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.158 0.504 . . . . 0.0 110.12 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 122.57 16.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.734 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.21 -25.56 55.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.419 . . . . 0.0 110.217 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -156.53 130.13 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.454 174.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -131.77 150.01 52.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.321 0.582 . . . . 0.0 110.92 177.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' A' ' 56' ' ' LEU . 16.0 tt -133.27 126.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.955 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 12' ' ' LYS . 14.2 p -105.65 139.76 39.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 14.0 p90 -154.96 144.57 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.9 148.07 29.41 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -77.06 104.47 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.415 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.76 -32.48 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -133.37 -82.43 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.632 0.253 . . . . 0.0 111.187 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -125.49 -64.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.056 0.455 . . . . 0.0 111.041 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -118.22 0.06 11.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.599 0.714 . . . . 0.0 109.829 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -85.17 121.86 28.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.382 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 71' ' ' ILE . 21.4 pt -121.39 125.11 73.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.335 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -106.22 138.05 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.037 0.446 . . . . 0.0 110.512 -179.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 27' ' ' THR . 71.5 mt -96.96 105.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.927 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.4 -53.82 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.516 -173.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -139.33 141.64 37.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -144.51 107.02 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.037 174.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -112.5 106.64 1.91 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.931 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.3 122.83 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.505 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 15' ' ' ILE . 77.1 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.842 0.354 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.76 -55.7 20.95 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.312 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -67.6 -25.41 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.882 0.341 . . . . 0.0 111.469 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.46 -48.6 78.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.317 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.567 HD21 HG13 ' A' ' 15' ' ' ILE . 97.1 mt -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 81' ' ' MET . 9.2 mp -60.44 -47.47 85.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.495 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.05 -33.49 76.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.845 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.46 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.224 0.535 . . . . 0.0 110.709 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.09 -45.17 80.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.731 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' LEU . 60.5 t -63.24 -39.84 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.387 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.61 -40.67 97.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.124 0.488 . . . . 0.0 110.231 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -71.45 -27.77 63.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.177 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.66 -36.68 81.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.341 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -65.17 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.44 -65.71 0.65 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.059 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -101.34 16.05 26.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.1 71.16 0.6 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 74.4 mt -103.99 142.89 33.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.884 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -98.1 116.05 29.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.888 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 36' ' ' ILE . 55.7 mt -91.04 116.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.338 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 16.7 pt -121.97 123.01 68.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.049 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.22 115.55 28.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.792 0.33 . . . . 0.0 111.439 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -79.16 -36.28 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.95 122.6 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.39 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 p -58.91 -36.53 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.444 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 81' ' ' MET . 84.1 t80 -61.47 -56.21 22.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.209 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -60.17 -40.54 90.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.783 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 92.1 m-70 -85.04 -23.51 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.119 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.507 ' HB3' HD21 ' A' ' 57' ' ' LEU . 83.3 mmm -60.35 -55.45 33.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.71 -20.19 62.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.466 0.65 . . . . 0.0 110.336 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 33.1 tt0 -77.06 -26.86 54.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.385 -176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 84' ' ' LYS . 38.7 mmtm -93.4 2.22 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -117.74 106.79 13.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.744 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.33 -24.06 65.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.747 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -70.71 -13.69 62.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -103.27 -10.18 18.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.765 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 78.74 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.33 0.586 . . . . 0.0 110.602 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -164.39 -44.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.97 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 m -95.35 -15.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.712 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.21 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.43 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.557 HG12 HD11 ' A' ' 15' ' ' ILE . 62.9 mt -60.98 113.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 42.3 mmtm -95.67 141.81 28.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.257 0.551 . . . . 0.0 111.013 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.11 143.05 33.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.119 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 -167.69 11.55 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.93 98.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.851 0.325 . . . . 0.0 110.992 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.14 27.96 15.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.59 0.556 . . . . 0.0 111.335 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.554 ' HB3' HG22 ' A' ' 27' ' ' THR . 14.7 ptmm? -149.2 148.56 29.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.042 0.449 . . . . 0.0 111.337 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -118.8 137.72 53.19 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -138.68 138.11 37.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.378 0.609 . . . . 0.0 111.405 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.642 HG13 HD21 ' A' ' 56' ' ' LEU . 53.5 mt -119.69 137.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.352 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.07 -153.54 25.38 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.918 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.0 t70 -70.01 -52.05 27.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.006 0.431 . . . . 0.0 111.496 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -160.87 -177.66 6.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.9 -29.01 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.38 -33.29 63.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.334 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 47.0 m-80 -122.27 55.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.125 -177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.18 128.27 35.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -91.56 -19.12 23.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.104 0.478 . . . . 0.0 109.859 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.49 109.07 1.45 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.109 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.5 140.23 52.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.303 0.573 . . . . 0.0 110.964 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -130.73 133.37 63.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.055 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HB3' ' A' ' 12' ' ' LYS . 72.5 p -110.73 139.05 46.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 -178.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -133.27 103.74 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.717 0.77 . . . . 0.0 109.438 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -114.69 159.25 20.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.453 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -83.65 128.18 34.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG21 HD11 ' A' ' 72' ' ' ILE . 14.2 m -101.21 -13.57 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.827 0.822 . . . . 0.0 108.835 169.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.593 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.0 t70 -155.34 176.66 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.174 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.27 -31.97 72.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 3.4 p-10 -124.56 15.04 8.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 111.278 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 45.6 mt-10 -130.18 130.46 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.484 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.3 pt -122.39 153.97 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.412 HD22 ' H ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -126.28 149.75 48.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.176 177.75 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.8 mp -100.13 110.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 9.6 m-20 -76.35 -65.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -116.13 137.74 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.363 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 17.2 m -140.19 88.67 2.23 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.756 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.77 74.65 0.23 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.831 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 ' HA2' ' A' ' 53' ' ' GLY . 61.2 t -94.83 102.85 14.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.227 0.537 . . . . 0.0 110.517 -179.551 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 HD12 ' A' ' 15' ' ' ILE . 49.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -60.34 -44.11 97.89 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.759 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 25.9 ttmt -65.86 -39.99 91.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.526 0.203 . . . . 0.0 111.228 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -42.63 87.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.015 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 15' ' ' ILE . 87.8 mt -65.21 -46.41 80.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 82' ' ' LEU . 51.2 tp -65.4 -35.34 80.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.82 -49.45 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.571 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.11 86.62 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.61 -46.51 94.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 88' ' ' TYR . 86.6 t -64.6 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.878 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.78 -43.81 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.359 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -63.7 -41.17 98.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.069 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.65 78.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -56.09 -48.62 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.31 -45.62 79.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.187 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.44 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -85.78 1.75 48.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.95 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER 64.34 33.01 11.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 61.0 mt -86.62 145.26 26.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.599 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 4.8 mptp? -96.53 139.21 32.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.6 mt -108.87 122.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.33 0.586 . . . . 0.0 112.3 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 31' ' ' VAL . 12.0 pt -123.76 108.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 170.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.414 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -86.8 111.24 20.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.296 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.4 t -72.33 -41.54 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.424 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 52.1 t -64.04 117.1 6.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.937 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 45.5 m -64.81 -16.8 63.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.154 -175.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.87 -50.03 58.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.52 62.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.273 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.619 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 38.4 ttmt -52.23 -57.37 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.586 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 57.6 m-70 -69.01 -21.45 64.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.7 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.3 ttm -73.07 -36.81 66.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 109.913 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 57' ' ' LEU . 83.7 mt -72.04 -29.45 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.293 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 74.8 mt-10 -68.64 -40.72 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.7 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 30.7 mmtp -85.94 -44.53 12.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.89 -169.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -87.48 118.78 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.12 -26.14 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.754 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -60.44 -24.78 65.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.819 0.343 . . . . 0.0 110.717 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 61' ' ' VAL . 24.0 m-85 -100.51 -22.86 14.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.1 tt0 -69.4 -14.44 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.442 -173.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.69 -40.64 92.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 111.13 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.63 7.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.604 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.853 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 69.6 t80 -100.49 136.41 40.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 70' ' ' LYS . 7.4 mp . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.273 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.339 0.59 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -78.75 93.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -84.51 116.7 23.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.599 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -100.32 138.88 36.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.361 0.6 . . . . 0.0 110.76 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.35 142.96 5.73 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.909 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 45.48 46.15 10.67 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.011 0.924 . . . . 0.0 113.181 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 69.51 16.48 8.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.968 0.507 . . . . 0.0 111.086 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' THR . 33.9 ttpt -125.32 127.13 46.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.258 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -101.1 104.01 15.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 35.5 p90 -120.03 126.8 51.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.413 0.625 . . . . 0.0 111.251 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.558 HG13 HD21 ' A' ' 56' ' ' LEU . 29.0 mt -90.27 115.01 28.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.504 173.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.4 163.6 30.07 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.954 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.46 -8.7 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.509 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.4 t70 -158.41 161.81 37.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.23 -40.68 94.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.291 . . . . 0.0 110.598 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -83.87 -3.83 58.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 35.7 m-80 -117.9 30.79 7.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.43 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 14' ' ' TYR . . . -76.25 109.75 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.055 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 -26.73 48.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.298 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -146.37 98.72 3.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.984 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.1 pt-20 -116.21 116.63 28.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.47 . . . . 0.0 111.356 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' HB ' HG23 ' A' ' 41' ' ' THR . 15.1 tt -106.42 118.32 53.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.156 0.503 . . . . 0.0 109.981 176.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' ' 12' ' ' LYS . 82.2 p -110.3 140.04 44.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 -175.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' HB3' HG13 ' A' ' 38' ' ' ILE . 32.3 p90 -146.62 134.42 21.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.105 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 29' ' ' ARG . 51.8 mtm180 -109.16 143.47 38.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.075 0.464 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -81.2 87.4 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.152 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.77 -20.5 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.217 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 23.2 t0 -153.07 52.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.441 0.638 . . . . 0.0 110.034 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.65 -77.29 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.942 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 4.1 m-20 -89.8 -9.55 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.852 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 2.9 tp10 -86.32 105.42 16.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.276 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.62 HD11 HG12 ' A' ' 71' ' ' ILE . 31.8 pt -105.87 116.52 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.63 0.729 . . . . 0.0 111.427 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HA ' HG13 ' A' ' 72' ' ' ILE . 6.7 t30 -98.61 113.04 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' A' ' 28' ' ' TYR . 2.2 mp -78.98 108.2 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.78 -56.04 9.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.712 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -152.59 142.88 22.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.956 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 43' ' ' VAL . 22.2 m -108.9 89.2 2.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.63 78.9 1.94 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.601 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 41' ' ' THR . 43.9 t -104.65 121.65 56.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.47 0.653 . . . . 0.0 109.843 177.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.61 -52.44 52.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.55 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -74.22 -20.78 60.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.699 -0.295 . . . . 0.0 110.929 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.95 -40.6 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 15' ' ' ILE . 73.9 mt -67.54 -50.66 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.64 -37.39 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -54.72 -55.36 30.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.756 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 26' ' ' ILE . 59.6 t -67.6 -51.72 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.12 -178.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.59 -38.87 83.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.708 0.29 . . . . 0.0 110.912 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 35.1 tt0 -61.88 -50.83 70.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -66.97 -34.18 77.2 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.568 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.34 -52.49 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -62.12 -30.06 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.3 mt-10 -58.34 -47.75 82.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.989 0.423 . . . . 0.0 111.225 175.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 35.4 m-80 -101.8 12.34 37.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.806 -171.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 62.85 35.06 13.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.679 0.752 . . . . 0.0 110.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 64' ' ' ALA . 74.5 mt -82.95 134.89 35.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 93' ' ' LEU . 8.8 mtmp? -103.07 131.18 50.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.112 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.62 HG12 HD11 ' A' ' 36' ' ' ILE . 42.1 mt -94.75 119.36 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.298 -169.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.551 HG13 ' HA ' ' A' ' 37' ' ' ASN . 16.1 pt -118.48 106.42 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.724 170.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.72 116.07 27.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.351 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.8 t -88.92 -16.53 31.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.41 138.72 31.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.683 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -59.43 -44.18 92.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.543 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.34 -57.78 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.421 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.87 93.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.388 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -65.36 -29.27 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -72.84 -38.81 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.979 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.2 mtp -69.91 -48.42 58.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.11 -30.96 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.397 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -84.83 -17.34 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -86.14 -29.69 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 109.63 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.41 111.62 22.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.159 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.401 ' HA ' HE21 ' A' ' 89' ' ' GLN . 25.7 t70 -62.39 -38.68 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -173.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.4 m -68.56 -28.16 66.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.132 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -80.47 -11.27 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.681 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.881 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 41.1 mt-30 -81.76 7.52 12.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.546 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.09 -55.6 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.372 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -9.67 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.769 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.881 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 59.0 t80 -83.21 119.36 24.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.193 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.4 pt? . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.673 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.83 97.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.152 0.501 . . . . 0.0 110.383 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.6 mmmm -86.9 130.17 34.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.772 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.38 130.24 53.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.87 -146.71 8.8 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.312 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 85.05 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.989 0.516 . . . . 0.0 110.662 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.64 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 49.6 m-80 45.86 49.49 11.68 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.863 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 27' ' ' THR . 60.1 pttt -153.73 163.78 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.75 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -120.98 134.14 55.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 3.6 p90 -149.47 140.11 22.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 0.0 110.824 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 56' ' ' LEU . 58.1 mt -125.09 124.82 68.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.169 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.3 -178.89 47.31 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.054 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.33 -25.99 38.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.792 0.806 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 23.0 t70 -153.48 169.13 23.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.804 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.409 0.623 . . . . 0.0 109.807 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -76.88 -34.08 57.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.759 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.6 m-20 -92.87 39.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.223 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 112.06 5.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.248 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -84.96 -31.91 23.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -139.78 105.37 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.08 177.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 148.75 45.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.963 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.29 117.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.238 0.542 . . . . 0.0 110.051 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' CB ' ' A' ' 12' ' ' LYS . 39.3 p -107.04 139.67 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.081 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -131.13 165.07 24.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.64 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.6 153.42 43.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.397 178.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.42 100.44 13.04 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -78.54 -41.75 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.941 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.85 -88.52 0.62 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.764 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -123.91 -65.93 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.242 -0.287 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 91.9 m-20 -113.41 -5.39 13.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.211 0.529 . . . . 0.0 110.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.87 114.51 15.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.466 HD11 HG12 ' A' ' 71' ' ' ILE . 23.6 pt -104.03 123.38 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.206 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' HG13 ' A' ' 72' ' ' ILE . 35.7 t30 -102.58 118.19 36.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.819 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.0 110.74 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -60.52 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.973 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -124.04 147.39 47.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.99 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -132.43 88.17 2.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.089 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.81 61.22 4.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.97 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 75.0 t -97.11 122.69 48.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 121.623 0.725 . . . . 0.0 111.149 -179.426 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.56 0.219 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.98 94.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.668 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -78.91 -22.9 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.519 0.199 . . . . 0.0 110.476 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -60.22 -53.7 54.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -69.09 -39.51 78.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.44 -42.35 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -64.28 -40.96 97.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.238 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.7 89.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.877 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 56' ' ' LEU . 96.0 t -66.31 -52.08 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.2 t -58.54 -46.9 89.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 31.5 tt0 -60.09 -48.04 83.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.374 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.492 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 78.0 t60 -69.65 -31.69 69.92 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.965 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.3 92.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.253 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -62.5 -33.43 74.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.518 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 42.8 mt-10 -60.31 -49.6 76.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.045 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -99.49 11.77 38.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.849 -172.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 59.82 37.31 21.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.623 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 83.2 mt -84.16 150.83 25.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.546 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.01 123.79 48.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.657 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.553 ' HB ' ' HA ' ' A' ' 92' ' ' TYR . 58.2 mt -92.57 120.85 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.88 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 37' ' ' ASN . 29.9 pt -128.75 155.29 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.904 171.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.24 126.55 19.97 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.868 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -84.04 -25.48 29.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.98 107.5 9.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.989 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.445 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 17.2 m -62.18 -28.44 69.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.663 -176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.96 -53.0 63.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.307 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HA ' ' HE2' ' A' ' 81' ' ' MET . . . -72.58 -36.21 68.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 61.9 tttm -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.3 -22.78 61.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.231 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 68.7 mtm -71.92 -38.78 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.038 0.447 . . . . 0.0 109.993 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' CD2' ' A' ' 88' ' ' TYR . 46.6 mt -71.85 -33.38 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.222 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.25 -30.4 62.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -80.49 -27.93 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 88' ' ' TYR . 6.5 tp10 -90.52 106.01 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.221 0.534 . . . . 0.0 110.189 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.436 ' HA ' HE21 ' A' ' 89' ' ' GLN . 5.1 m-20 -60.39 -28.43 68.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.284 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 m -75.19 -0.58 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 85' ' ' GLU . 21.0 m-30 -105.19 -3.36 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.074 -0.391 . . . . 0.0 111.306 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 86' ' ' ASP . 43.1 mt-30 -81.62 28.22 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -173.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.74 -21.11 12.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.856 0.36 . . . . 0.0 110.121 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.426 HG21 HG13 ' A' ' 61' ' ' VAL . 10.9 m -120.28 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 30.4 t80 -80.28 127.45 32.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.979 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -176.757 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.235 0.3 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 15' ' ' ILE . 57.9 mt -73.8 106.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.901 0.381 . . . . 0.0 109.988 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.01 137.9 39.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.062 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.32 149.26 22.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.8 0.333 . . . . 0.0 110.173 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 -166.76 14.17 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.978 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 21.8 mp0 -63.46 101.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.26 0.224 . . . . 0.0 110.716 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 m120 60.52 27.08 16.73 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.618 0.573 . . . . 0.0 111.432 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 27' ' ' THR . 22.5 pttm -157.19 160.05 38.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 0.0 112.039 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.24 134.45 50.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -136.97 138.64 40.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.469 0.652 . . . . 0.0 111.718 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 56' ' ' LEU . 42.7 mt -110.76 123.0 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.787 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 174.55 163.39 27.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.133 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' HD22 ' A' ' 21' ' ' ASN . 20.2 t70 -67.8 -42.89 80.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.586 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -132.93 167.01 21.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.211 0.529 . . . . 0.0 109.914 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -85.83 -31.3 22.35 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.548 HD22 ' HB3' ' A' ' 17' ' ' ASP . 62.9 t30 -98.84 43.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.879 -177.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -80.36 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.005 177.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -86.76 -18.97 29.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.701 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.55 112.54 1.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.85 140.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.219 0.533 . . . . 0.0 110.617 177.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.46 130.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.347 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 12' ' ' LYS . 70.3 p -111.12 138.33 47.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -118.85 119.65 34.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -102.77 148.55 25.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -97.76 106.79 19.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.728 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 37' ' ' ASN . 15.2 m -86.33 -42.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.778 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.99 99.91 2.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 0.0 111.63 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 60.6 -82.76 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.711 172.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -118.09 1.42 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.97 111.51 23.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -111.44 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.1 p30 -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.98 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 78' ' ' ALA . 2.1 mp -70.69 110.84 3.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.46 -42.75 13.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.737 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -140.43 141.4 35.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.2 m -146.97 97.62 2.92 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.706 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -107.51 91.13 0.68 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.439 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 24' ' ' ALA . 47.4 t -106.05 106.53 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.819 0.343 . . . . 0.0 110.703 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.644 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.857 0.361 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.37 -39.35 97.14 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.305 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -68.43 -35.17 77.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.552 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.06 -38.84 82.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.311 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 15' ' ' ILE . 74.2 mt -61.07 -48.39 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.968 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -54.98 -47.52 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.747 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 25.0 ttpp -57.87 -46.66 84.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.87 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.024 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 56' ' ' LEU . 89.4 t -62.77 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.06 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 91' ' ' VAL . 91.2 t -58.75 -44.65 90.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 38.1 mm-40 -55.89 -56.8 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.994 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -62.78 -39.42 94.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.754 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.19 97.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -33.02 75.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.233 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 48.5 mt-10 -69.59 -35.75 75.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.802 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.581 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m120 -96.94 -0.46 47.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.312 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.8 t30 57.59 47.11 16.54 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.825 0.821 . . . . 0.0 110.651 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.2 mt -90.35 147.56 23.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.818 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -106.04 137.03 44.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -110.57 126.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 0.0 112.682 -169.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.2 pt -125.43 176.8 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.504 167.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.6 129.56 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.268 -0.573 . . . . 0.0 112.035 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -90.65 -32.66 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.13 119.9 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.113 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -63.52 -36.19 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.91 -46.73 81.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' HG21 ' A' ' 38' ' ' ILE . . . -74.65 -38.81 62.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.9 -40.52 80.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -66.87 -33.5 75.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.7 mtm -73.5 -43.16 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.789 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.5 -30.55 71.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.042 0.448 . . . . 0.0 110.944 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.33 -25.41 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.056 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.12 -32.77 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -120.79 117.2 26.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 0.0 110.052 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.472 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 17.3 m-20 -77.05 3.94 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.489 -173.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 m -74.5 -16.1 60.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.948 0.404 . . . . 0.0 110.503 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -87.98 1.13 54.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.838 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 86' ' ' ASP . 47.6 mt-30 -62.8 -14.83 50.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.03 -36.56 80.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.193 0.521 . . . . 0.0 110.998 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG21 HG22 ' A' ' 61' ' ' VAL . 15.2 m -110.0 -39.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -84.29 112.96 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 -178.378 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.178 0.514 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' A' ' 59' ' ' ALA . 56.5 mt -78.71 105.8 8.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.487 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -94.39 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -79.7 156.5 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.764 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.66 -158.7 10.14 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.828 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.63 90.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.375 0.67 . . . . 0.0 112.361 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.16 23.79 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.941 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.586 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.42 148.01 22.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.861 -177.094 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -105.22 133.99 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -134.8 150.83 50.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.389 0.614 . . . . 0.0 111.71 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -123.2 116.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.047 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.68 166.6 30.66 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.176 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.63 -35.29 80.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -159.48 168.38 26.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 38.8 mt-10 -71.57 -22.5 61.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.66 0.664 . . . . 0.0 111.281 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.44 -31.32 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -110.01 31.19 6.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.716 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 19' ' ' GLU . . . -67.27 106.72 2.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.02 -37.09 69.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -155.65 128.79 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 4.7 pt-20 -138.61 143.04 39.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.172 172.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.94 113.13 36.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.586 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.6 p -89.12 140.66 29.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.187 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 44.4 p90 -134.91 128.79 33.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.221 0.534 . . . . 0.0 110.398 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.67 166.57 12.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.885 -178.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -101.22 105.98 17.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.0 -26.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -136.63 -75.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.692 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -165.23 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' HD23 ' A' ' 69' ' ' LEU . 60.4 t30 -89.46 -6.59 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.938 0.875 . . . . 0.0 109.747 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.802 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 34.5 mt-10 -107.38 115.34 29.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.722 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 33.5 pt -112.55 135.34 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.148 0.499 . . . . 0.0 110.851 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.2 p-10 -109.37 138.56 45.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -178.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 27' ' ' THR . 3.1 mp -85.24 102.26 10.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -58.81 -68.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.34 0.591 . . . . 0.0 110.395 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 14.4 p-80 -132.57 149.45 52.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.098 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 43' ' ' VAL . 12.0 m -113.32 94.45 4.88 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -80.76 63.09 4.3 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.758 -172.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 41' ' ' THR . 92.8 t -96.16 119.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.028 179.036 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.55 -38.27 80.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -79.61 -21.84 44.43 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.552 -0.381 . . . . 0.0 110.806 -176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.49 -35.91 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 109.864 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD11 ' HB1' ' A' ' 24' ' ' ALA . 81.4 mt -69.25 -41.12 77.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.49 -42.57 92.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.86 -46.11 78.3 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.567 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -53.52 -49.45 67.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.448 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.04 -45.77 62.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.346 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.59 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.639 0.257 . . . . 0.0 111.093 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.41 -52.15 66.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.467 . . . . 0.0 110.492 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -70.17 -27.03 64.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.071 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.92 87.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.331 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.941 HH12 ' HB2' ' A' ' 90' ' ' ASP . 14.5 mmt180 -57.79 -41.11 81.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.101 0.477 . . . . 0.0 110.536 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.52 -56.69 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.612 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.546 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -87.99 -4.44 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.021 -170.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER 66.94 34.49 5.26 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.09 0.472 . . . . 0.0 110.198 -178.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 63.7 mt -73.61 151.7 40.77 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.398 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.802 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 89.6 mttt -92.76 135.08 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.535 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 49.6 mm -108.69 115.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.109 0.48 . . . . 0.0 111.6 -176.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.8 148.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.201 171.245 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.84 140.07 52.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.8 t -92.99 -37.68 12.07 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.2 t -63.69 117.41 6.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.384 177.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -56.89 -38.54 72.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.02 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -57.82 -56.87 16.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.24 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.23 -45.13 91.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.536 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -70.56 -26.41 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.168 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 24.7 ttp -77.98 -42.63 32.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.23 -28.85 69.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.79 -19.13 55.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.503 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -97.54 -41.05 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.547 -175.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -88.31 141.99 28.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.326 0.584 . . . . 0.0 111.512 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.45 -27.95 56.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.051 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 p -64.33 -15.92 61.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -105.37 -3.05 23.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.6 0.238 . . . . 0.0 111.075 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.3 1.34 9.68 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.166 0.507 . . . . 0.0 112.178 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.941 ' HB2' HH12 ' A' ' 65' ' ' ARG . 46.4 m-20 -95.37 -39.78 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.96 0.409 . . . . 0.0 110.706 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.417 ' HB ' HG12 ' A' ' 71' ' ' ILE . 14.8 m -99.33 -34.85 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 33.3 t80 -71.67 127.02 31.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.909 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.791 -178.644 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' A' ' 55' ' ' LYS . 54.8 mt -91.6 116.41 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.665 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.16 120.42 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' HD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -95.06 135.48 36.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.784 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.88 -172.09 22.27 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.438 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.88 99.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 111.731 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.5 m120 62.66 15.48 8.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.718 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 27' ' ' THR . 8.5 ptpp? -142.53 140.15 31.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.365 0.603 . . . . 0.0 111.976 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HD1' ' HA ' ' A' ' 8' ' ' GLN . 36.4 m-85 -120.72 122.22 39.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 30.5 p90 -138.85 145.9 40.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.208 0.528 . . . . 0.0 112.045 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.604 HG13 HD21 ' A' ' 56' ' ' LEU . 68.3 mt -111.09 119.93 60.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.734 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.8 175.72 37.83 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.13 -28.21 20.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.424 0.612 . . . . 0.0 110.276 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -138.61 166.59 23.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.98 -28.52 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.628 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.02 -53.17 33.82 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -99.0 33.59 2.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.77 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.84 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.14 -34.5 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.92 123.75 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 174.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -127.24 138.04 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.603 174.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -120.73 131.09 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.075 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 12' ' ' LYS . 33.9 p -117.36 137.84 52.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 35.1 p90 -135.27 139.35 44.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.032 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -127.2 141.33 51.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -76.41 111.25 11.67 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG13 HD22 ' A' ' 37' ' ' ASN . 7.5 m -82.4 -43.96 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.341 -177.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.528 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 15.6 t70 -116.73 -77.94 0.57 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.229 -177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.98 -78.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -95.0 -3.46 48.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.27 0.557 . . . . 0.0 110.316 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 52.6 mp0 -81.47 110.57 17.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.998 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 HG12 ' A' ' 71' ' ' ILE . 33.9 pt -104.76 132.25 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.3 p30 -109.09 132.03 54.5 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.778 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.55 104.31 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.442 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.79 -43.83 57.73 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.656 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -149.38 137.1 20.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.092 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 43' ' ' VAL . 48.5 m -135.35 99.08 4.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.631 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -101.6 85.51 0.56 Allowed Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.732 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' THR . 52.8 t -97.58 105.79 17.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.258 0.552 . . . . 0.0 109.712 177.404 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.526 HG13 HD12 ' A' ' 15' ' ' ILE . 61.7 t . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.53 94.16 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.852 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.584 0.231 . . . . 0.0 110.93 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.8 ttmm -64.69 -37.06 86.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 110.174 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HG13 ' A' ' 15' ' ' ILE . 95.5 mt -66.32 -50.35 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.26 -35.73 78.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.48 -48.0 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.93 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 56' ' ' LEU . 91.7 t -63.62 -54.02 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 91.9 t -61.51 -37.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.701 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -55.34 -52.15 64.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 110.385 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -67.81 -30.67 70.14 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.52 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.364 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 17.7 mmm180 -67.07 -43.4 82.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.364 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.52 -61.2 2.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.132 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ASN . 37.0 m-80 -89.42 -8.2 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.423 -171.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 67' ' ' ASN . 8.8 t30 68.09 84.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.897 0.856 . . . . 0.0 109.641 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.49 148.48 37.8 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.732 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.714 ' HB3' HD11 ' A' ' 93' ' ' LEU . 97.0 mttt -105.33 123.69 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 36' ' ' ILE . 64.2 mt -99.94 117.64 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.216 0.531 . . . . 0.0 112.092 -172.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.66 HG23 HD13 ' A' ' 93' ' ' LEU . 15.3 pt -117.55 148.93 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.056 170.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.38 117.16 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.893 0.378 . . . . 0.0 111.712 -175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -88.8 -25.77 22.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.23 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.2 t -81.9 124.4 29.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.901 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m -61.77 -45.22 94.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.482 ' HE2' ' HB ' ' A' ' 43' ' ' VAL . 72.4 t80 -60.14 -41.03 91.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.07 84.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.039 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.4 -36.89 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -66.25 -30.71 71.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.272 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.5 mtp -73.45 -36.99 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.47 -38.35 89.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.24 -33.77 76.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.337 175.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -70.8 -49.61 44.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -99.17 92.0 5.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 109.979 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.451 ' HA ' HE21 ' A' ' 89' ' ' GLN . 7.1 p-10 -72.11 -8.37 54.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.101 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -64.0 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 0.0 110.441 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 61' ' ' VAL . 21.3 m-85 -85.46 -13.76 48.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.769 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 mt-30 -76.32 5.02 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.66 -39.38 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 109.933 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.8 m -98.73 2.02 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.682 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.769 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 33.9 t80 -88.97 114.42 25.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.555 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.774 HD12 ' H ' ' A' ' 93' ' ' LEU . 2.5 mp . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.981 0.42 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.499 HG12 HD11 ' A' ' 15' ' ' ILE . 55.9 mt -86.36 114.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.937 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 148.95 22.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.484 HE21 ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -112.99 129.51 56.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.99 0.424 . . . . 0.0 111.326 -173.286 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.32 -173.23 13.26 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.785 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 26.6 mt-10 -70.46 100.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.498 0.189 . . . . 0.0 110.888 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 12.4 m120 72.74 9.98 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.104 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -139.42 143.22 37.54 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.091 -0.644 . . . . 0.0 112.377 -179.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -112.23 127.13 55.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -131.61 133.97 45.53 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.459 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.499 HD11 HG12 ' A' ' 6' ' ' ILE . 69.1 mt -111.3 127.13 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.934 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.69 175.26 40.5 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.385 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.12 -37.27 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.215 0.531 . . . . 0.0 110.565 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -146.18 170.25 17.11 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -61.86 -36.76 82.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.78 -37.09 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.136 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.43 37.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.73 105.12 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.094 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.06 -31.37 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -150.87 117.68 5.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -122.88 139.37 54.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.125 0.488 . . . . 0.0 110.318 175.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.537 ' HB ' HG23 ' A' ' 41' ' ' THR . 13.5 tt -125.72 123.68 64.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.602 HG22 ' HB3' ' A' ' 12' ' ' LYS . 28.3 p -105.36 138.12 42.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.548 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.8 p90 -146.28 137.71 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -139.41 144.97 38.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.646 0.26 . . . . 0.0 110.848 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -68.42 110.22 4.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.935 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.13 -27.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 0.0 110.468 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.26 94.61 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 59.4 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.585 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -104.38 -14.4 15.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.622 0.249 . . . . 0.0 111.47 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 45.8 mt-10 -80.99 117.16 21.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 0.0 111.105 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 HD11 HG12 ' A' ' 71' ' ' ILE . 23.3 pt -109.26 121.66 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.441 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 4.2 t-20 -94.06 120.46 34.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.441 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.5 mp -80.15 107.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 35.9 t70 -74.46 -60.89 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.194 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 23.7 p-80 -144.34 144.51 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.091 0.472 . . . . 0.0 111.001 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 26' ' ' ILE . 17.4 m -134.73 100.73 4.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.286 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.772 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.83 114.03 4.89 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.365 -175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.52 109.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.019 179.704 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.5 -28.63 73.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.176 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HE2' ' OH ' ' A' ' 88' ' ' TYR . 12.6 tptm -64.77 -36.06 83.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 110.225 -178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.13 -37.31 69.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.456 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 15' ' ' ILE . 89.3 mt -61.46 -46.92 88.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 61' ' ' VAL . 8.2 mp -59.74 -46.08 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.716 177.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.62 -39.25 83.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.61 98.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.5 -49.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.489 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.479 HG13 HG21 ' A' ' 91' ' ' VAL . 85.4 t -58.21 -40.86 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -55.11 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -71.7 -25.49 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.561 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.49 -54.43 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.652 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -59.73 -38.81 82.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.442 0.639 . . . . 0.0 109.602 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.71 -41.26 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.107 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.49 15.88 9.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.63 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 54.16 56.94 6.39 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.329 0.585 . . . . 0.0 111.229 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 87.4 mt -96.08 139.9 31.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 96.3 mttt -87.07 114.34 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.653 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 HD11 ' A' ' 36' ' ' ILE . 41.6 mt -86.0 113.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 111.117 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' HA ' ' A' ' 37' ' ' ASN . 12.8 pt -123.09 106.75 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -97.46 118.79 34.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.25 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 m -90.18 -28.39 18.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.457 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 42.6 t -67.15 117.08 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.854 176.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -58.14 -35.96 72.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.993 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -62.76 -46.81 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.643 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.78 55.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -58.53 -46.27 87.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.605 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -72.99 -23.47 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.831 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 33.4 ttm -74.18 -41.65 61.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.18 -32.85 74.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.288 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -70.19 -23.67 63.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.87 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -73.69 -52.83 11.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.434 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -99.86 128.94 45.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.96 0.41 . . . . 0.0 110.443 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' HA ' ' OE1' ' A' ' 89' ' ' GLN . 7.4 p-10 -70.21 -9.95 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.379 -172.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 m -79.55 1.34 26.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.695 0.283 . . . . 0.0 111.682 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.548 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 66.4 m-85 -105.43 -14.49 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 86' ' ' ASP . 15.3 mp0 -70.62 -0.4 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -76.86 -47.35 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 110.224 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HG13 ' A' ' 61' ' ' VAL . 6.4 m -99.38 -26.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.224 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -82.5 129.28 34.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 70' ' ' LYS . 83.3 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.236 0.541 . . . . 0.0 110.889 -177.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG3' ' A' ' 55' ' ' LYS . 65.7 mt -96.47 108.23 20.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.989 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.11 135.16 33.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -97.07 140.05 32.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.904 -175.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -151.89 5.52 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.109 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.39 89.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.989 0.515 . . . . 0.0 111.506 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 12.5 m120 55.11 26.55 8.34 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.506 0.504 . . . . 0.0 110.921 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.7 ptpt -136.83 153.61 50.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.569 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 69.1 m-85 -122.84 117.62 26.04 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -127.76 134.19 49.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.457 0.646 . . . . 0.0 112.253 -174.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.5 125.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.94 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . -177.78 172.13 44.75 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.153 -1.022 . . . . 0.0 112.305 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.51 -26.48 55.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.626 0.727 . . . . 0.0 110.099 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.46 162.0 40.49 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.94 -33.84 72.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.109 0.481 . . . . 0.0 110.182 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -80.84 -21.77 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.985 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.24 35.61 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.413 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -71.45 113.47 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.112 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.53 -5.41 54.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.945 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -162.2 109.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.97 152.73 52.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.078 0.466 . . . . 0.0 111.443 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.31 131.71 58.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.24 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 73.6 p -121.08 138.55 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 37.6 p90 -138.58 127.95 24.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.975 0.416 . . . . 0.0 110.095 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -113.28 145.93 40.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.67 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.743 ' HB3' ' HA ' ' A' ' 33' ' ' ASN . 76.4 m-85 -80.44 102.92 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.417 -176.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.6 m -85.52 -26.16 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 0.0 110.519 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 28.9 t70 -134.8 8.69 3.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.266 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.743 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 4.6 m-20 72.62 -56.06 0.66 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.76 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.04 -36.19 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 109.664 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 44.2 mt-10 -93.73 121.04 34.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 174.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 HG12 ' A' ' 71' ' ' ILE . 38.1 pt -110.67 138.97 36.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.706 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -114.4 119.03 35.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.88 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.98 101.92 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.67 -58.68 2.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.183 -168.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 81.2 t60 -127.48 141.45 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.363 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -147.76 102.64 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.83 106.52 2.18 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 86.3 t -125.5 126.59 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.551 0.215 . . . . 0.0 110.989 -174.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.548 175.122 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t . . . . . 0 C--O 1.236 0.369 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.55 -25.35 68.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.11 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 16.2 tppt? -58.59 -36.67 74.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.319 176.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.682 ' HG3' HD11 ' A' ' 6' ' ' ILE . 41.3 tptt -71.1 -57.32 4.63 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.383 0.611 . . . . 0.0 110.21 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.02 -47.9 84.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.47 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' HB ' ' A' ' 60' ' ' VAL . 26.1 tp -72.24 -25.08 61.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.017 -175.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 24.1 ttpp -58.4 -51.49 69.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.37 75.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.992 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' HD12 ' A' ' 57' ' ' LEU . 57.4 t -65.28 -49.47 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -42.36 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 60.6 mt-10 -61.23 -47.24 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.919 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -70.38 -31.72 69.07 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.08 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.165 175.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.48 -36.71 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.292 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.9 mt-10 -57.98 -39.64 78.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.187 0.518 . . . . 0.0 111.029 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.558 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 31.0 m-80 -110.78 10.86 22.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.858 -173.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 54.56 43.0 30.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.171 0.51 . . . . 0.0 110.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 79.4 mt -83.58 142.38 30.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.24 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.02 120.46 32.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 36' ' ' ILE . 36.4 mt -94.06 120.09 42.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.267 0.556 . . . . 0.0 112.009 -174.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -126.64 159.01 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.672 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 136.75 37.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.5 m -90.22 -31.28 17.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.439 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 98.5 m -75.34 123.63 25.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.059 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -57.18 -38.79 74.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.231 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.84 -47.7 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.079 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -78.9 -41.42 29.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.082 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.46 -51.3 70.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.623 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.438 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 9.8 t60 -72.6 -19.05 61.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.776 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -70.47 -42.19 71.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 88' ' ' TYR . 46.5 mt -58.74 -38.51 78.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.626 177.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HG2' ' CE2' ' A' ' 92' ' ' TYR . 31.8 mt-10 -74.26 -22.4 59.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.25 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -80.14 -44.99 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -109.6 144.65 37.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.2 0.524 . . . . 0.0 111.816 -170.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.94 -36.42 74.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.674 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 p -57.05 -41.68 79.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.873 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 82' ' ' LEU . 20.9 m-85 -81.13 -31.14 34.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.51 -25.26 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.27 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.5 -37.35 67.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.09 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.69 11.1 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.95 0.405 . . . . 0.0 111.666 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 52.5 t80 -95.31 135.02 37.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.086 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.155 -179.132 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.52 HG12 HD11 ' A' ' 15' ' ' ILE . 58.4 mt -76.5 106.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.917 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -86.38 116.98 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.106 0.479 . . . . 0.0 110.61 -177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.625 ' HG2' ' HE1' ' A' ' 13' ' ' PHE . 27.8 mt-30 -73.15 121.39 20.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.728 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.0 -161.23 11.48 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.762 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pm0 -69.7 95.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 0.0 110.752 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.18 23.39 12.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.364 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.4 ptpt -140.21 160.45 39.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.345 0.593 . . . . 0.0 112.145 -173.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.625 ' HE1' ' HG2' ' A' ' 8' ' ' GLN . 36.0 m-85 -122.68 114.5 20.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.407 168.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.73 150.02 50.46 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.641 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 47.6 mt -142.39 149.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.031 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.78 -178.65 39.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.79 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.19 -28.43 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 109.424 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -156.25 168.1 28.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.532 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.64 -28.5 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.231 0.539 . . . . 0.0 110.095 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.67 -34.72 67.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.384 0.611 . . . . 0.0 110.127 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -107.93 44.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.202 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 116.78 6.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.513 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 44' ' ' SER . 95.8 mt -88.25 -4.12 58.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.54 0.686 . . . . 0.0 109.717 176.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.52 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -140.47 125.7 18.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.073 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -154.98 114.59 3.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 13.8 tt -144.15 134.97 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.687 0.279 . . . . 0.0 110.945 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.522 HG22 ' HB3' ' A' ' 12' ' ' LYS . 39.7 p -123.09 139.51 54.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 16.2 p90 -125.12 100.16 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.367 0.603 . . . . 0.0 110.571 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -95.76 136.35 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -175.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -75.75 121.04 21.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.923 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 72' ' ' ILE . 15.6 m -103.11 -49.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 12.4 t70 -110.08 -82.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.439 -175.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -137.44 -46.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.732 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -130.07 0.43 4.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.388 0.613 . . . . 0.0 110.02 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 32.1 mp0 -81.28 107.55 14.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.325 -176.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 13.9 pt -90.27 110.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.478 0.656 . . . . 0.0 109.82 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HA ' HG13 ' A' ' 72' ' ' ILE . 34.2 t30 -87.28 112.25 21.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.478 -177.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.99 100.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 109.42 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 9.7 t70 -84.48 -58.6 2.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.467 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 14.0 t60 -108.99 133.87 52.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.376 -174.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 30.1 m -143.64 104.47 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.455 . . . . 0.0 110.442 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.16 106.1 1.09 Allowed Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.654 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.18 154.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.442 0.639 . . . . 0.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.94 97.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.72 -46.34 82.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.75 0.309 . . . . 0.0 110.44 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -58.49 -42.61 87.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.99 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD11 ' HB1' ' A' ' 24' ' ' ALA . 95.8 mt -67.18 -54.28 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.983 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.51 HD11 HD21 ' A' ' 82' ' ' LEU . 24.0 tp -65.73 -41.78 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.145 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -61.91 -38.78 89.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.682 0.277 . . . . 0.0 110.518 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.87 99.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.49 -49.55 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.59 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.496 HG13 HG11 ' A' ' 91' ' ' VAL . 99.3 t -58.41 -37.96 66.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.159 0.504 . . . . 0.0 111.017 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.23 -55.03 38.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -71.66 -27.48 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.725 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.82 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.11 -35.49 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.657 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.68 -45.2 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.05 8.24 40.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.452 -176.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 59.2 39.19 23.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.772 0.796 . . . . 0.0 110.344 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.15 157.76 21.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.429 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HD2' HD11 ' A' ' 93' ' ' LEU . 72.1 mmtt -113.46 135.36 53.96 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.96 125.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 112.062 -172.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 31' ' ' VAL . 31.5 pt -130.53 161.5 40.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.622 171.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.61 137.61 42.09 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.737 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -104.82 -16.97 14.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.439 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 50.6 t -76.57 127.92 33.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.885 175.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -62.42 -41.21 98.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.33 -53.03 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.757 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.72 96.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.9 ttmt -59.23 -50.64 73.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -68.98 -26.29 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.12 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.5 ttp -72.06 -37.62 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 109.977 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 57' ' ' LEU . 79.4 mt -69.51 -39.87 77.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.671 175.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 43.8 mt-10 -68.34 -28.28 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -64.28 -60.61 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.137 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 5.0 tp10 -84.81 134.19 34.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.56 -172.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' HA ' HE21 ' A' ' 89' ' ' GLN . 17.6 t70 -60.49 -37.52 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.816 -173.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -68.07 -28.15 67.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 23.8 m-85 -76.86 -13.07 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.521 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' A' ' 86' ' ' ASP . 42.2 mt-30 -77.63 1.48 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.12 -49.1 11.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 110.152 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 HG13 ' A' ' 61' ' ' VAL . 23.1 m -83.9 -20.18 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.106 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -91.34 110.34 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.146 0.498 . . . . 0.0 109.803 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.51 HD11 ' HD2' ' A' ' 70' ' ' LYS . 6.2 mp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.153 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.662 HD11 ' HG2' ' A' ' 55' ' ' LYS . 64.7 mt -62.07 113.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.948 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 7' ' ' LYS . 1.2 mmpm? -89.43 112.73 23.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -86.45 120.09 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.501 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.17 173.14 14.56 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.02 101.52 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.634 0.217 . . . . 0.0 110.918 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 m-20 65.68 20.31 11.53 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.545 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 52.0 pttt -143.36 117.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.146 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -101.25 111.59 23.85 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -125.81 147.16 49.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.962 0.411 . . . . 0.0 110.625 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.685 HD12 HG13 ' A' ' 52' ' ' VAL . 50.9 mt -125.77 121.78 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.423 0.63 . . . . 0.0 110.308 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.35 -176.42 42.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.726 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.44 -25.65 25.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.06 0.43 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.468 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 12.8 t70 -142.33 145.06 33.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.46 -32.06 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.288 . . . . 0.0 110.994 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -67.04 -34.84 78.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 18' ' ' ASP . 5.0 p30 -123.52 45.23 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.374 0.607 . . . . 0.0 110.734 -176.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.48 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.464 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.61 -26.86 41.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.054 0.454 . . . . 0.0 110.525 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.68 130.46 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.293 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.54 144.27 34.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 111.101 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 60' ' ' VAL . 10.5 tt -131.31 125.58 57.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.876 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 12' ' ' LYS . 16.2 p -115.26 139.13 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.99 0.424 . . . . 0.0 111.777 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 37.2 p90 -124.47 125.53 44.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.154 178.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' A' ' 39' ' ' ASP . 34.8 mtm180 -109.4 132.33 54.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.935 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -78.3 100.29 6.66 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.01 -40.85 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.53 -84.18 0.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.591 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.22 -90.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.331 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -107.73 18.16 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 108.536 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.795 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 38.2 mt-10 -89.5 116.1 27.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.622 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 22.9 pt -102.9 123.93 56.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.586 -173.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 t-20 -93.81 111.84 23.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.16 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 27' ' ' THR . 70.2 mt -74.72 95.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 171.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 32.3 t70 -85.48 -29.63 24.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.71 -171.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 78.1 t60 -142.61 134.26 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.442 0.639 . . . . 0.0 111.485 -178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 25.6 m -144.9 105.04 4.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.889 171.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.52 138.24 13.16 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.114 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.94 121.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.261 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 15' ' ' ILE . 69.9 t . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.563 0.221 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.57 -38.6 96.65 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.359 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.81 -41.9 97.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.662 ' HG2' HD11 ' A' ' 6' ' ' ILE . 38.7 ttpt -71.35 -33.99 70.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.4 mt -62.25 -52.36 64.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.986 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.44 -38.33 86.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.894 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -56.9 -46.15 82.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.185 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.92 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.437 HG21 HD13 ' A' ' 26' ' ' ILE . 68.6 t -61.94 -52.2 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.85 -40.18 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.5 -47.09 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.77 -30.36 70.56 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.098 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -65.56 -50.53 64.83 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.41 175.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -61.53 -38.57 87.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.644 0.259 . . . . 0.0 110.416 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.61 -45.51 66.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.573 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.58 6.54 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.506 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 52.82 65.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.69 0.757 . . . . 0.0 110.117 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 64' ' ' ALA . 91.3 mt -94.87 150.98 19.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.051 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.795 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 50.2 mtpt -101.94 115.75 31.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.06 131.87 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.0 111.996 -173.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 20.4 pt -134.37 144.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.026 170.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.62 142.4 50.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.288 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.726 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 16.4 p -103.86 -38.23 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 11.8 m -62.93 119.54 9.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.219 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -57.27 -42.14 81.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.602 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.536 ' O ' ' HG3' ' A' ' 81' ' ' MET . 83.7 t80 -57.58 -56.53 20.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.789 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 41' ' ' THR . . . -66.45 -35.19 79.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -57.66 -50.34 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.812 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 80.5 m-70 -71.17 -15.64 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -177.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 93.3 mtp -72.36 -44.44 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 175.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.93 -39.58 61.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.339 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 40.5 tt0 -64.35 -28.9 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -71.02 -43.68 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.392 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -92.03 127.84 37.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.301 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.42 ' HA ' HE21 ' A' ' 89' ' ' GLN . 3.9 p30 -59.9 -38.28 81.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.479 -175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 t -71.19 -24.94 62.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.831 0.348 . . . . 0.0 111.61 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -84.93 -14.61 47.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.685 0.279 . . . . 0.0 111.082 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.42 HE21 ' HA ' ' A' ' 86' ' ' ASP . 49.2 mt-30 -84.65 3.21 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -174.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.85 -41.12 16.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.4 -26.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.67 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -82.99 139.33 33.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 70' ' ' LYS . 10.3 mp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.259 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -86.36 95.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.07 156.84 26.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.42 146.73 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.481 0.658 . . . . 0.0 111.744 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.24 -174.1 13.22 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -69.88 105.33 2.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.242 0.521 . . . . 0.0 110.659 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' A' ' 11' ' ' ASN . 6.3 m120 63.1 30.19 16.16 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.683 0.614 . . . . 0.0 111.375 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 27' ' ' THR . 56.4 pttt -159.25 165.27 33.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 112.04 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -131.01 149.38 52.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 32.9 p90 -151.22 142.63 23.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.245 0.545 . . . . 0.0 111.229 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.781 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 55.5 mt -110.95 123.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.266 174.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.76 173.86 36.21 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.95 -48.66 73.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.7 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.08 -175.38 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.591 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -67.78 -18.28 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.833 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -132.1 60.04 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.85 92.85 8.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.55 -13.86 50.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 0.0 110.32 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.781 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -132.3 97.9 4.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.771 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -113.83 135.59 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.897 -173.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 56' ' ' LEU . 14.5 tt -151.4 127.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.962 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 12' ' ' LYS . 21.6 p -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.477 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 36.3 p90 -146.71 138.1 24.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 19.2 ttt180 -142.24 149.72 39.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.009 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -76.45 118.96 19.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.67 -41.06 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -161.52 98.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 t30 67.65 -76.2 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.879 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 22.2 t-20 -116.67 -23.46 8.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 111.38 -172.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 23.0 mp0 -75.69 121.48 22.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.3 pt -112.29 128.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.894 175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.626 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.7 p-10 -101.46 135.95 42.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.912 0.387 . . . . 0.0 110.504 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.5 mp -83.36 109.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 13.5 t70 -68.53 -57.81 5.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.249 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -151.48 151.16 31.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.421 . . . . 0.0 111.01 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -116.1 110.74 19.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.919 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.96 81.31 0.3 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.341 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -93.24 125.54 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 0.0 111.084 -177.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.078 0.466 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.66 87.83 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 87.5 tttt -67.78 -36.58 80.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.304 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -74.0 -30.08 62.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.73 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.669 HD11 ' HB1' ' A' ' 24' ' ' ALA . 59.6 mt -64.68 -50.85 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.156 0.503 . . . . 0.0 109.787 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.513 HD22 ' HE2' ' A' ' 81' ' ' MET . 38.5 tp -64.34 -31.89 73.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.342 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -54.74 -48.56 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.28 98.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.83 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.34 -47.56 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.575 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 88' ' ' TYR . 64.5 t -62.48 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.459 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.02 -42.95 89.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 66' ' ' GLU . 69.6 t60 -72.89 -24.85 60.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.096 0.474 . . . . 0.0 110.462 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.23 53.26 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 175.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.71 -42.43 93.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 63' ' ' HIS . 24.2 tt0 -50.08 -47.91 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.632 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -107.23 7.25 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.907 -174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.55 61.7 2.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.329 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -107.2 158.05 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 35' ' ' GLU . 30.2 mmtp -92.4 116.59 29.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.929 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 91' ' ' VAL . 20.8 mt -92.19 112.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.298 178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 5.3 pt -125.97 119.18 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.085 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.31 122.97 35.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.086 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.2 m -74.78 -37.46 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.511 . . . . 0.0 109.665 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.9 p -79.22 131.69 36.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.585 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 p -67.58 -29.62 69.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.028 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.44 -48.58 80.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.998 0.428 . . . . 0.0 110.627 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.44 85.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 36.0 ttmt -64.38 -38.88 92.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.63 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.482 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.513 ' HE2' HD22 ' A' ' 57' ' ' LEU . 35.0 ttp -73.69 -31.29 63.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.577 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 HD21 ' A' ' 57' ' ' LEU . 81.3 mt -66.76 -36.83 83.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.753 174.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.3 mt-10 -82.12 -16.28 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.635 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -39.64 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.898 -173.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.77 169.61 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.981 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.19 -24.4 27.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.249 -169.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 t -66.41 -4.36 8.01 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.142 -175.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 54' ' ' LYS . 35.3 m-85 -96.78 -7.39 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.278 -0.264 . . . . 0.0 111.599 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.497 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.2 tt0 -69.48 -15.32 63.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.75 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -35.41 72.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 177.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 71' ' ' ILE . 18.9 m -118.91 4.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.234 0.54 . . . . 0.0 111.153 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 52.0 t80 -104.57 139.49 39.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.496 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 -177.288 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.17 0.51 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.412 HG12 ' CG1' ' A' ' 15' ' ' ILE . 47.7 mt -92.16 108.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.445 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -91.87 146.11 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.888 0.375 . . . . 0.0 110.158 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.73 128.88 47.85 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.385 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.02 -164.77 12.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 173.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.78 99.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.261 0.531 . . . . 0.0 110.776 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m120 60.36 16.8 6.56 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.374 0.421 . . . . 0.0 111.847 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 27' ' ' THR . 7.5 ptpp? -129.19 139.37 51.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.959 0.409 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.27 114.86 27.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -121.32 127.79 51.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.667 0.746 . . . . 0.0 111.309 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.661 HD12 HG13 ' A' ' 52' ' ' VAL . 49.9 mt -93.11 128.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.689 175.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.17 -146.08 13.07 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.16 -35.8 0.93 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.193 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.462 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 19.4 t70 -122.77 168.58 12.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.78 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.036 0.446 . . . . 0.0 109.838 176.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.24 -33.2 24.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.436 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 93.6 m-20 -88.52 37.04 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.534 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.32 109.48 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.618 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.06 -21.39 29.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.247 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.705 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.2 106.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.46 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.26 0.552 . . . . 0.0 110.346 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 17.3 tt -122.27 124.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.788 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 12' ' ' LYS . 40.5 p -108.32 139.87 42.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 34.9 p90 -129.35 127.31 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.2 tpt180 -114.55 168.12 10.14 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.23 111.06 23.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.662 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -87.25 -23.01 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.77 0.795 . . . . 0.0 108.883 171.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.4 t70 -140.36 164.7 29.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.094 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.96 -24.85 67.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.682 0.277 . . . . 0.0 110.947 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 14.6 m120 -127.31 17.79 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.542 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.5 mt-10 -135.38 122.18 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.07 150.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.571 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.8 p-10 -121.75 139.27 53.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.994 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -87.07 105.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -70.03 -65.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.657 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.606 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 65.9 t60 -127.67 130.85 49.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.354 -173.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 m -121.7 97.69 5.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.465 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -106.95 98.88 1.36 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.221 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.522 HG22 ' HB1' ' A' ' 24' ' ' ALA . 28.2 t -116.64 124.58 72.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 175.705 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 15' ' ' ILE . 53.6 t . . . . . 0 C--O 1.235 0.301 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.41 91.03 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.801 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -76.4 -25.57 54.68 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.656 -0.32 . . . . 0.0 111.037 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -58.55 -46.19 87.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 15' ' ' ILE . 97.5 mt -60.98 -49.25 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.838 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.1 -44.1 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.623 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -57.37 -42.87 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.435 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.71 88.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.83 -48.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 71' ' ' ILE . 98.3 t -62.54 -38.93 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.35 -48.36 80.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.199 0.523 . . . . 0.0 109.979 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -69.02 -26.61 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -54.26 19.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -62.41 -35.19 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 109.829 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -53.35 -47.69 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.957 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -106.2 9.13 32.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.417 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 59.36 69.9 0.68 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 110.158 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 64.3 mt -121.35 139.5 53.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.533 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.907 ' HD3' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -85.87 145.53 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 174.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 61' ' ' VAL . 68.3 mt -113.78 120.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.321 0.582 . . . . 0.0 112.373 -174.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -127.23 149.66 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.063 168.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.81 135.28 50.81 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.124 -0.36 . . . . 0.0 111.221 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -85.08 -42.83 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.412 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 87.0 m -63.59 125.17 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -59.17 -38.13 79.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.371 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.61 -40.43 94.79 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.033 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.26 -41.95 16.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -58.79 -49.93 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.542 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -16.3 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.12 -40.03 71.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -77.38 -23.85 50.67 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.83 0.347 . . . . 0.0 110.597 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -63.17 -39.74 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.518 . . . . 0.0 109.803 173.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -79.26 -48.9 13.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.59 97.37 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.61 -19.26 65.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.456 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.6 m -66.08 -23.47 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.8 8.5 41.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.56 ' HA ' HE21 ' A' ' 89' ' ' GLN . 0.0 OUTLIER -65.92 -25.09 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 110.572 -178.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -48.32 73.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.472 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 m -85.14 -21.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.59 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -78.59 141.99 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.182 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.231 178.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.19 109.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -79.44 115.8 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.842 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -90.86 122.82 33.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.73 -165.6 11.8 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.059 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.2 mp0 -60.22 95.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.704 0.402 . . . . 0.0 110.762 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 57.12 23.08 8.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.845 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 25.2 pttm -142.64 144.4 32.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.295 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -113.74 128.36 56.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -142.12 156.13 45.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.704 -175.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD21 ' A' ' 56' ' ' LEU . 57.6 mt -129.8 128.16 64.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.621 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.93 -170.31 42.07 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.683 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.92 -30.01 21.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.142 0.496 . . . . 0.0 110.279 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -160.97 161.05 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -15.36 63.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.421 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -73.44 -15.7 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 110.536 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -161.88 78.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.549 . . . . 0.0 110.015 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.53 149.99 28.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.106 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.88 -24.47 38.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -163.07 126.81 2.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.225 177.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -128.59 127.34 42.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.289 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.92 125.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 59.0 p -109.29 137.46 47.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.707 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.15 147.21 45.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG3' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -154.05 150.29 28.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -82.67 121.02 26.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.502 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 8.0 m -85.79 -41.93 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.636 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . 22.7 m-20 -144.73 -83.4 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.454 ' C ' HD22 ' A' ' 33' ' ' ASN . 0.2 OUTLIER -105.39 -80.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.529 -171.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.85 4.6 14.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.434 0.635 . . . . 0.0 109.467 -177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 4.3 mp0 -89.82 117.53 28.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.415 -173.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.35 124.71 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.738 174.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' HG13 ' A' ' 72' ' ' ILE . 2.3 p-10 -102.37 135.14 44.51 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.335 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.22 96.56 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 23.2 t70 -53.78 -57.9 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.308 -174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 37.8 p-80 -150.45 146.26 26.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.855 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.53 HG22 HG23 ' A' ' 43' ' ' VAL . 3.1 m -112.98 85.61 2.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -76.97 82.8 1.08 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.023 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' THR . 61.0 t -109.25 132.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.185 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 HD12 ' A' ' 15' ' ' ILE . 48.5 t . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.37 43.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.561 -176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.81 -23.09 61.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.313 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -65.4 -51.85 57.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.094 0.474 . . . . 0.0 110.265 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 15' ' ' ILE . 97.3 mt -66.6 -38.63 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.202 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 56.9 tp -63.07 -42.32 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.559 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -57.36 -47.14 82.41 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.861 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.01 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.57 -44.32 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.395 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.0 t -62.95 -40.6 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.74 -45.05 95.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.652 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -65.67 -37.18 85.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.312 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.95 77.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 91' ' ' VAL . 45.7 ttp85 -60.93 -44.7 96.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 0.0 110.416 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.35 -46.41 86.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.697 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.14 3.24 55.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.512 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 58.73 70.37 0.66 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.841 0.829 . . . . 0.0 110.339 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -121.56 174.64 6.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.91 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.801 ' HD3' HD21 ' A' ' 93' ' ' LEU . 55.9 mttp -124.05 130.05 51.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 61' ' ' VAL . 59.0 mt -95.55 127.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.954 -176.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 37' ' ' ASN . 11.9 pt -120.39 132.51 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.722 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.08 115.61 27.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.388 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 m -88.67 -25.48 22.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 47.5 t -91.67 139.23 30.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.554 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 m -68.01 -31.03 70.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.311 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -64.67 -51.01 64.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.915 0.388 . . . . 0.0 110.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.71 84.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.68 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -56.51 -51.43 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.689 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -69.02 -16.05 63.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mtm -84.91 -49.49 8.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.062 0.458 . . . . 0.0 110.252 175.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 57' ' ' LEU . 90.3 mt -73.53 -39.24 64.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.722 -175.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -67.38 -29.65 69.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.927 0.394 . . . . 0.0 111.627 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -97.94 -32.98 11.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.46 124.62 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.997 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.19 -16.11 61.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.607 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -63.51 -29.61 70.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.41 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -106.12 -8.39 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.684 0.278 . . . . 0.0 111.431 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HG2' ' HD2' ' A' ' 92' ' ' TYR . 36.3 mt-30 -82.48 74.97 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.535 0.683 . . . . 0.0 112.235 -174.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -141.9 -45.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.173 170.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 65' ' ' ARG . 29.6 m -97.02 4.9 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.161 174.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.514 ' HD2' ' HG2' ' A' ' 89' ' ' GLN . 59.9 t80 -102.03 138.5 38.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.913 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.801 HD21 ' HD3' ' A' ' 70' ' ' LYS . 86.8 mt . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.215 0.531 . . . . 0.0 110.942 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 121.133 0.492 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 66.3 mt -70.62 115.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.177 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -93.2 125.02 37.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.56 176.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -81.66 145.53 30.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.385 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.4 -166.78 13.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.512 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -64.94 99.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.76 0.28 . . . . 0.0 111.223 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.56 21.88 12.45 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.293 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 27' ' ' THR . 20.4 ptmt -145.87 150.93 37.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.173 0.511 . . . . 0.0 111.393 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 51.6 m-85 -122.59 119.09 29.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 171.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 33.8 p90 -128.76 131.78 47.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.681 0.753 . . . . 0.0 111.843 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 56' ' ' LEU . 71.8 mt -99.73 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.547 171.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.57 135.47 7.87 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 119.988 -1.101 . . . . 0.0 112.849 -176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.49 -32.13 70.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.993 0.901 . . . . 0.0 108.583 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.2 t70 -138.88 157.6 45.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.385 -1.279 . . . . 0.0 107.568 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.63 -20.38 58.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.232 0.469 . . . . 0.0 111.557 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -87.59 -21.35 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.307 0.575 . . . . 0.0 109.701 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 9.2 m120 -115.05 46.25 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.169 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.52 100.47 0.67 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.528 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.15 -55.86 28.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -127.04 112.2 14.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 12.7 pt-20 -125.92 134.9 51.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 60' ' ' VAL . 17.0 tt -121.88 132.72 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.215 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 12' ' ' LYS . 68.7 p -118.38 141.12 48.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.613 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -143.93 149.38 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -126.59 153.99 44.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -89.0 102.81 15.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.737 174.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -75.08 -31.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.1 168.25 20.17 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -80.84 57.11 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.754 0.311 . . . . 0.0 110.223 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.85 -24.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 57.8 mt-10 -112.55 132.66 55.0 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.959 0.409 . . . . 0.0 110.608 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.5 142.13 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.303 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 21.7 p-10 -114.43 138.26 50.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 0.0 110.445 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 107.65 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.34 -44.0 59.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.614 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 72.1 t60 -159.34 146.34 16.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.157 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 m -139.32 100.64 4.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.035 0.445 . . . . 0.0 110.02 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.34 95.97 1.15 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.495 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.81 98.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.943 0.402 . . . . 0.0 110.725 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.334 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.363 0.601 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.23 -26.25 71.51 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.969 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.54 -37.22 82.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.543 0.211 . . . . 0.0 110.508 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' O ' HD11 ' A' ' 6' ' ' ILE . 7.5 mtpm? -60.22 -47.05 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 15' ' ' ILE . 84.4 mt -57.15 -60.83 3.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.655 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.04 -33.03 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.573 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 26.1 ttpp -56.94 -57.15 13.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.496 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.05 82.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 26' ' ' ILE . 93.7 t -63.01 -46.4 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.255 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 88' ' ' TYR . 81.9 t -67.51 -39.06 81.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.725 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 47.2 mt-10 -59.03 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.59 -32.22 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.87 82.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.16 -33.29 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.67 -51.77 52.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.268 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.586 ' HB3' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -93.99 4.78 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.78 -172.021 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 59.97 40.63 18.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.75 0.786 . . . . 0.0 110.135 -178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.586 ' HG ' ' HB3' ' A' ' 67' ' ' ASN . 79.8 mt -84.45 136.29 33.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.552 -178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 93' ' ' LEU . 48.5 mtmt -90.85 121.99 33.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.57 175.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.3 mt -91.83 114.75 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.877 -173.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 32.8 pt -115.03 160.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.78 137.29 51.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.265 -0.574 . . . . 0.0 112.052 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -91.8 -51.87 5.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 51.4 m -69.05 121.89 17.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 t -62.09 -28.74 69.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.126 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -58.32 -56.17 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.456 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.41 74.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.974 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.15 -35.45 80.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.065 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -68.99 -35.2 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.72 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.5 mtp -67.78 -45.92 73.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.57 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.62 -31.11 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.885 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.89 -49.43 70.52 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.991 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -107.41 153.31 22.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.143 0.497 . . . . 0.0 110.956 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.03 -7.74 59.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.893 -170.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 p -66.96 -51.88 49.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.444 -174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CD1' HG21 ' A' ' 61' ' ' VAL . 14.6 m-85 -92.24 -7.81 47.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -174.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 tt0 -70.5 -15.95 62.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.509 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.42 -55.11 37.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.888 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.7 m -102.51 13.73 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.482 . . . . 0.0 111.172 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 21.7 t80 -84.39 127.23 33.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HD2' ' A' ' 70' ' ' LYS . 74.8 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.527 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.63 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 37.1 mp0 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.157 0.503 . . . . 0.0 111.885 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.689 HD11 ' HG2' ' A' ' 55' ' ' LYS . 63.4 mt -75.39 108.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.118 173.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' A' ' 5' ' ' GLU . 32.3 mmtp -86.48 132.66 33.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.401 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.72 139.82 56.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.61 29.9 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.67 94.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.237 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.468 HD22 ' NH2' ' A' ' 29' ' ' ARG . 74.4 m-20 60.89 22.87 12.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.344 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.75 127.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.477 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -98.96 137.64 37.22 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -139.78 130.55 25.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.366 0.603 . . . . 0.0 111.704 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.704 HG13 HD21 ' A' ' 56' ' ' LEU . 63.4 mt -92.33 112.56 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.487 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.65 162.87 26.27 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -82.15 -16.14 50.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.15 0.5 . . . . 0.0 110.398 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -158.47 163.11 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.21 -26.39 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 118.087 0.403 . . . . 0.0 110.61 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -78.49 -7.6 57.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.541 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -127.12 25.23 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.277 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.41 99.64 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.887 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.53 -15.05 56.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.556 -176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -153.7 104.55 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -117.03 139.39 50.75 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.595 176.028 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -129.95 131.09 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.38 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.685 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 25.4 p -100.63 139.72 35.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -132.53 55.5 1.88 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.854 0.835 . . . . 0.0 108.804 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' NH2' HD22 ' A' ' 11' ' ' ASN . 3.7 mtp85 -77.11 154.93 32.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.203 -169.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 68.6 m-85 -83.43 112.05 19.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.922 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -83.68 -17.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.48 0.657 . . . . 0.0 109.233 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.604 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 6.6 t70 -150.46 -160.48 1.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.211 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -75.61 -41.64 53.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.933 0.333 . . . . 0.0 111.785 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -110.17 -25.95 9.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.738 0.78 . . . . 0.0 110.049 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.604 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 38.7 mp0 -84.42 102.69 12.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.242 -172.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 71' ' ' ILE . 35.6 pt -97.42 143.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.435 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -128.21 139.36 52.5 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.518 -177.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.685 ' HA ' ' O ' ' A' ' 27' ' ' THR . 4.1 mp -87.6 91.02 3.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.647 171.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.989 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 11.1 p-10 -89.61 -10.22 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.13 -174.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 66.1 t60 -147.22 135.56 21.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.42 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 m -136.27 92.92 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -102.93 62.8 0.45 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.618 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' HB1' ' A' ' 24' ' ' ALA . 98.7 t -102.8 118.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.669 0.271 . . . . 0.0 111.159 -175.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 m . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.815 173.221 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.95 -32.31 73.31 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.891 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 85' ' ' GLU . 51.6 tttp -67.28 -36.15 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG2' HD11 ' A' ' 6' ' ' ILE . 4.7 ttmp? -60.84 -48.3 82.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.344 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.704 HD21 HG13 ' A' ' 15' ' ' ILE . 78.5 mt -66.49 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.257 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.32 -36.74 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.53 -45.61 91.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.86 94.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.42 -51.9 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 89.0 t -61.39 -42.06 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 20.1 tt0 -64.25 -45.38 88.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.84 -176.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -72.84 -36.75 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.69 78.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.491 . . . . 0.0 110.213 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -62.68 -35.48 79.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.076 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.6 mt-10 -65.85 -53.01 45.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.746 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.553 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 10.3 m120 -85.25 2.69 42.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.082 -170.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.501 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.8 OUTLIER 65.45 37.31 6.22 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.228 0.537 . . . . 0.0 110.374 178.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -88.36 169.96 11.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HD2' ' HG3' ' A' ' 35' ' ' GLU . 86.7 mttt -113.18 130.75 56.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 61' ' ' VAL . 50.4 mt -106.69 120.68 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.345 0.593 . . . . 0.0 111.93 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.9 pt -123.07 161.2 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.942 170.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.8 129.62 40.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.081 0.467 . . . . 0.0 111.675 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 34.2 t -85.62 -44.81 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.088 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 65.8 m -66.47 122.11 16.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.259 175.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 t -61.73 -30.18 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 81' ' ' MET . 64.6 t80 -59.33 -58.17 9.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.96 85.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 5.2 tmmm? -61.11 -40.74 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.875 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 49.1 t60 -75.42 -21.76 57.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.782 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 89.0 mtp -69.45 -34.69 74.78 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.33 -30.81 65.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.402 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 80' ' ' HIS . 45.4 mt-10 -70.84 -37.68 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -57.28 -52.28 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.808 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 11.6 tt0 -114.75 117.19 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -168.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -74.26 0.62 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.048 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 t -82.75 -4.5 58.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.425 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 78.5 m-85 -102.59 9.07 39.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.438 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -77.52 2.0 17.68 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -67.18 -58.26 5.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.12 -3.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.315 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 64.3 t80 -83.66 114.13 21.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.421 HD11 ' HD3' ' A' ' 70' ' ' LYS . 91.8 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -176.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p 49.79 64.64 1.69 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.451 0.7 . . . . 0.0 111.288 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -130.46 72.26 1.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.152 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 tp -135.89 13.35 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.293 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.16 161.74 29.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.639 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.15 120.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.89 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.42 124.39 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.724 0.297 . . . . 0.0 110.498 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -87.88 116.17 25.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.8 -168.33 13.56 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.26 94.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.447 0.299 . . . . 0.0 111.109 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 55.65 26.71 9.59 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.224 0.535 . . . . 0.0 111.144 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.01 141.15 31.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.355 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -120.05 124.77 46.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . 48.2 p90 -133.02 142.36 48.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.336 0.589 . . . . 0.0 111.932 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.31 119.18 59.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.523 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.94 -173.08 42.84 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 22.3 m-20 -74.48 -49.52 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.74 -164.39 2.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.17 -35.49 81.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -80.67 -39.13 27.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.013 0.435 . . . . 0.0 110.381 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 17' ' ' ASP . 6.2 m-20 -88.1 31.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.253 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 92.66 4.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.54 -31.85 62.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.985 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -145.72 114.36 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 14' ' ' TYR . 1.1 pp20? -137.28 155.11 49.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.934 0.397 . . . . 0.0 111.116 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 60' ' ' VAL . 15.9 tt -139.72 141.95 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.657 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 39' ' ' ASP . 81.0 p -123.56 146.89 47.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.662 0.268 . . . . 0.0 110.963 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 31.9 p90 -144.74 138.1 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 37' ' ' ASN . 9.1 ptp180 -128.98 154.99 46.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -83.39 100.45 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.64 -38.86 46.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.772 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -125.45 -79.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.262 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.6 -86.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.495 0.188 . . . . 0.0 110.841 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -88.43 -1.18 57.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.246 0.546 . . . . 0.0 110.14 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -88.36 119.97 29.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 pt -117.68 146.56 21.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.822 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 26.5 p-10 -118.15 142.06 47.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.277 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.1 mt -75.49 98.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 12.1 t70 -66.16 -54.92 19.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.087 -172.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -144.03 143.5 31.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.575 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -129.07 90.16 2.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.921 0.391 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.78 71.88 2.7 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.664 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.591 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.4 t -112.49 119.2 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -74.62 127.14 32.37 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.35 109.32 16.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.414 0.626 . . . . 0.0 110.244 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.66 -60.42 2.26 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.467 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -140.94 19.17 2.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 -57.42 4.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.138 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.15 -26.16 72.4 Favored Glycine 0 C--N 1.331 0.262 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -99.85 21.39 12.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.333 0.587 . . . . 0.0 109.93 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.32 102.12 1.93 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.841 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -62.77 -17.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.422 . . . . 0.0 111.103 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.32 58.48 Favored Glycine 0 C--O 1.225 -0.427 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.132 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -63.36 -37.8 88.68 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 117.071 0.436 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.9 -39.68 87.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.964 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.08 -46.31 74.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.661 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -57.23 -45.65 83.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.229 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -55.91 -48.77 75.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.894 0.378 . . . . 0.0 110.198 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.76 95.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.467 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 26' ' ' ILE . 99.3 t -64.38 -50.07 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.386 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 88' ' ' TYR . 96.5 t -63.54 -41.93 94.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 110.853 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.66 -48.24 82.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.128 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -64.23 -42.7 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.158 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.41 90.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.063 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -58.32 -47.14 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.498 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.12 -18.8 62.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.242 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.26 1.83 39.24 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.242 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -86.54 144.56 27.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -100.89 128.66 46.83 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.479 HD12 HG21 ' A' ' 91' ' ' VAL . 52.9 mt -104.01 118.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.473 0.654 . . . . 0.0 112.136 -174.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -116.66 175.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 168.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.92 131.83 26.01 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.173 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 m -89.89 -18.97 25.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.291 0.567 . . . . 0.0 109.736 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 p -95.04 128.81 42.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.389 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 p -61.83 -33.55 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.513 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -55.18 -54.21 46.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.69 75.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.03 -43.94 91.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.459 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -78.03 -28.28 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.457 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 66.8 mtm -68.76 -45.99 69.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.732 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.39 -21.56 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.565 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.0 -43.06 88.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.043 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.98 -18.76 36.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.506 -177.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.28 92.74 6.9 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 -174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.05 -6.09 39.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 m -70.0 -20.59 63.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 61' ' ' VAL . 29.3 m-85 -109.91 25.37 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.74 -8.38 42.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.875 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.71 -53.0 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.19 0.519 . . . . 0.0 110.909 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 71' ' ' ILE . 27.8 m -102.42 -12.04 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.882 -172.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -87.24 125.8 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.34 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.05 -153.9 38.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.385 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 tp -155.89 138.95 15.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.78 0.324 . . . . 0.0 110.156 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' OE1' ' HB2' ' A' ' 100' ' ' HIS . 1.4 tm-20 -150.97 147.38 27.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -97.66 24.75 6.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.378 0.609 . . . . 0.0 110.604 -173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 69.33 16.05 8.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.527 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -96.01 60.43 2.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' HB2' ' OE1' ' A' ' 96' ' ' GLU . 59.0 t60 -123.96 65.49 1.05 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.555 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -75.66 -34.92 60.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 C--O 1.24 0.575 0 CA-C-N 113.782 -1.553 . . . . 0.0 108.264 164.027 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.019 0.437 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -166.94 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.262 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 61.96 17.6 9.13 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.963 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.5 HD22 HG22 ' A' ' 52' ' ' VAL . 71.3 mt -85.35 39.25 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 0.0 109.549 177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.566 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 13.6 tt0 -85.24 125.27 32.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.851 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HG2' ' A' ' 55' ' ' LYS . 58.3 mt -82.82 125.7 40.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.109 0.481 . . . . 0.0 111.412 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HE3' ' OE2' ' A' ' 5' ' ' GLU . 22.0 mmtp -99.44 139.49 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 171.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -107.79 144.83 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.466 0.651 . . . . 0.0 112.004 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.84 -176.98 15.71 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.15 112.98 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.505 0.652 . . . . 0.0 110.415 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.7 m120 67.31 15.21 9.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.067 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB3' HG22 ' A' ' 27' ' ' THR . 18.5 ptpt -147.08 144.99 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.197 0.523 . . . . 0.0 111.995 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -125.16 128.0 47.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 28.6 p90 -133.55 129.23 36.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.406 0.622 . . . . 0.0 111.408 -175.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 56' ' ' LEU . 68.1 mt -89.64 116.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.36 174.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.66 173.46 35.78 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.65 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -76.97 -49.61 15.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.43 168.12 13.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.855 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.25 -30.6 69.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -87.35 10.91 15.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.664 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.86 68.64 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.406 0.622 . . . . 0.0 109.823 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.0 124.36 49.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.116 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.49 -23.22 21.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.344 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -145.98 102.49 3.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.604 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.7 120.66 38.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.91 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.9 135.34 62.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.5 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.546 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 62.0 p -117.44 157.06 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.87 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 40.9 p90 -152.69 141.98 21.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 110.327 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.518 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 51.6 ttp85 -128.32 150.83 49.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.95 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.58 98.77 10.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 72' ' ' ILE . 8.2 m -76.37 -38.94 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -151.82 78.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.17 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.453 1.096 . . . . 0.0 112.785 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 6.29 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.963 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -124.57 122.03 36.44 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.115 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 pt -118.17 133.29 65.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.146 0.498 . . . . 0.0 111.129 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.518 ' OD1' ' HB3' ' A' ' 29' ' ' ARG . 1.6 p-10 -100.38 143.94 29.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 75' ' ' CYS . 3.4 mp -112.6 106.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -96.06 -52.35 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.761 -174.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.546 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 58.4 t60 -103.89 125.94 50.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.429 0.633 . . . . 0.0 111.176 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -144.5 101.51 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.132 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.69 99.97 1.02 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.664 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 59.4 t -119.49 127.52 75.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 m -71.43 130.47 41.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.89 6.62 16.69 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -26.32 67.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.294 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.75 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.698 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.52 -17.64 28.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.45 -155.58 6.49 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 69.84 140.69 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.497 0.665 . . . . 0.0 111.489 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.18 47.52 3.4 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.198 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.5 HG22 HD22 ' A' ' 4' ' ' LEU . 21.2 t -64.85 -55.85 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.603 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.7 -47.28 88.06 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.703 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 6' ' ' ILE . 40.8 ttmt -68.23 -45.83 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.937 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 15' ' ' ILE . 85.6 mt -66.24 -45.84 79.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.471 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -58.73 -49.2 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -59.53 -37.86 79.48 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.76 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.7 93.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' HIS . 92.3 t -72.01 -39.92 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 57' ' ' LEU . 89.2 t -69.52 -35.23 65.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.58 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 44.6 tt0 -60.57 -49.69 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 15.1 t-80 -50.92 -45.3 60.37 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.583 174.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 -39.41 79.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -68.01 -41.32 82.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 -178.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 49.0 mt-10 -56.23 -53.36 58.07 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.096 0.474 . . . . 0.0 111.155 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 80.5 m-20 -101.08 10.25 41.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.398 -172.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.61 49.05 21.69 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.34 0.59 . . . . 0.0 111.227 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 76.3 mt -89.12 137.95 31.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.26 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.621 ' HD3' HD11 ' A' ' 93' ' ' LEU . 63.2 mttp -81.5 140.52 34.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.996 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.494 HG23 HD13 ' A' ' 38' ' ' ILE . 70.2 mt -111.93 126.35 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.262 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 31' ' ' VAL . 20.3 pt -123.41 129.58 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.784 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.32 134.61 50.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.935 0.397 . . . . 0.0 111.479 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.622 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 31.8 t -111.68 -5.49 14.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.598 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 4.6 p -97.23 117.11 30.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.43 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.0 t -57.84 -33.99 69.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.569 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.79 -51.69 68.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.546 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -75.53 -38.71 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -54.8 -42.98 72.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.546 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 25.5 m80 -65.55 -27.53 68.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.69 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.6 mtm -84.96 -28.81 25.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 93.2 mt -71.32 -41.59 69.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.78 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.96 -18.39 56.06 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 110.767 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 64.0 tttm -69.91 -46.27 65.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.594 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 30.3 tt0 -111.45 150.68 29.51 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.114 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -81.55 -10.75 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.869 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.409 ' H ' ' HG2' ' A' ' 85' ' ' GLU . 5.2 m -74.46 -7.52 53.26 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 21.6 m-85 -115.03 -13.85 11.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 111.626 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.98 -8.34 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -166.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.97 -44.38 63.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.79 -24.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.895 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -76.85 123.89 26.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.621 HD11 ' HD3' ' A' ' 70' ' ' LYS . 83.1 mt -94.61 -138.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 174.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 55.57 46.07 82.59 Favored Glycine 0 C--O 1.236 0.24 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.028 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.75 -49.16 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.828 0.347 . . . . 0.0 110.649 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.018 0.437 . . . . 0.0 111.501 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -82.11 76.35 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -85.95 62.96 7.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.437 -172.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -177.7 170.71 1.95 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.828 0.851 . . . . 0.0 108.864 174.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -89.88 3.92 51.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.703 0.287 . . . . 0.0 110.717 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -157.36 -54.63 0.08 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.911 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.4 t60 . . . . . 0 C--O 1.242 0.663 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -54.39 114.63 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.516 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -160.16 151.2 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.97 65.76 2.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.376 0.607 . . . . 0.0 111.042 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -91.15 153.55 19.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.283 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.99 96.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.52 128.75 33.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.108 0.48 . . . . 0.0 109.925 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -96.88 121.99 39.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.693 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.32 -179.13 17.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.78 115.57 13.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 117.343 0.571 . . . . 0.0 110.485 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 65.38 19.16 11.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.682 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 27' ' ' THR . 57.3 pttt -153.49 143.66 22.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.344 0.592 . . . . 0.0 112.216 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.7 127.83 53.94 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -134.09 140.17 46.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.203 0.525 . . . . 0.0 111.237 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 56' ' ' LEU . 69.5 mt -114.57 117.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.065 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.78 163.7 30.89 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -71.85 -40.59 68.91 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.897 0.379 . . . . 0.0 110.125 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -122.11 161.8 22.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.81 -27.54 62.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 110.604 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -77.52 -35.01 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.291 0.567 . . . . 0.0 109.95 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -105.75 49.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.956 0.884 . . . . 0.0 109.615 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.2 117.16 14.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.693 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.53 -33.85 74.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.15 131.1 10.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.73 142.19 50.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.041 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 38' ' ' ILE . 14.8 tt -124.6 128.37 73.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 175.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.5 p -109.25 138.82 45.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.988 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 12.1 p90 -145.3 141.84 28.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.415 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 29' ' ' ARG . 10.0 ptm85 -136.04 137.7 41.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -176.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.08 96.87 2.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.921 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 72' ' ' ILE . 30.2 m -81.86 -26.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -141.7 -159.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.841 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.83 -57.42 12.12 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.266 0.354 . . . . 0.0 111.951 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -127.99 5.66 5.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.39 120.19 30.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.367 . . . . 0.0 110.736 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 pt -108.81 135.25 48.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.099 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 23.2 t-20 -109.17 126.34 53.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.054 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.477 HD13 HD11 ' A' ' 26' ' ' ILE . 70.8 mt -96.39 102.37 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 3.9 p-10 -78.29 -34.91 48.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.813 -174.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 28.4 p-80 -155.14 153.3 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.36 0.6 . . . . 0.0 111.228 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 43' ' ' VAL . 7.7 m -128.74 96.41 4.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.003 172.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -79.08 81.41 1.42 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.05 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.482 HG23 HG22 ' A' ' 41' ' ' THR . 48.2 t -100.2 112.92 34.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.702 0.287 . . . . 0.0 110.452 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -77.48 129.61 35.93 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.04 25.29 0.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.901 0.382 . . . . 0.0 111.564 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.67 -30.02 70.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.156 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.906 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.0 mm? -82.59 -4.87 58.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.191 -177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.59 -104.38 1.06 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.754 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.36 -8.01 63.09 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.875 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.906 ' HB2' ' HB3' ' A' ' 47' ' ' LEU . 48.8 mt-30 -73.38 110.35 7.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.362 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.92 68.57 3.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.142 -175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.17 -39.33 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.197 0.522 . . . . 0.0 110.041 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.11 -24.38 75.91 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.036 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -69.83 -37.93 76.38 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -64.23 -37.75 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.195 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 15' ' ' ILE . 81.6 mt -65.23 -48.38 73.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.68 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.1 -44.22 87.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.835 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -56.78 -45.06 82.37 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.75 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.08 99.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.21 -48.82 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.578 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 88' ' ' TYR . 99.5 t -63.34 -41.96 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.057 0.455 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.8 tt0 -62.05 -45.18 94.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 19.9 t60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.48 -43.36 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.297 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -62.81 -35.94 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.775 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.1 mt-10 -60.07 -44.52 94.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.13 0.49 . . . . 0.0 110.468 176.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -102.32 14.5 31.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.365 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.0 m120 62.22 29.18 17.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.021 0.439 . . . . 0.0 111.407 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 64' ' ' ALA . 83.2 mt -78.47 156.23 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 3.6 mptp? -107.94 137.61 45.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.343 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.19 123.62 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 111.626 -172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.5 pt -125.5 136.99 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.014 171.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.81 123.83 24.16 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.235 -174.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 3.2 p -87.6 -22.57 24.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.228 0.537 . . . . 0.0 110.268 176.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.1 t -67.81 108.97 3.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.785 175.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 m -58.23 -35.81 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.668 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.1 -57.19 13.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.951 0.405 . . . . 0.0 110.861 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.4 84.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -58.0 -45.55 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.045 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -73.07 -17.54 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.135 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.6 mtm -81.6 -35.08 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.32 -34.58 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 109.573 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -70.58 -16.67 62.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -72.92 -59.63 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.07 145.42 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 111.833 -170.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.652 ' HA ' ' HB2' ' A' ' 89' ' ' GLN . 2.9 m-20 -75.3 -4.34 38.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.758 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.5 t -63.1 -23.38 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 0.0 110.036 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CD2' HG11 ' A' ' 61' ' ' VAL . 2.2 m-85 -112.1 9.08 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.366 -178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.652 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 6.3 tp60 -79.58 -19.14 50.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.218 -170.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.61 -17.61 25.3 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.814 -0.553 . . . . 0.0 111.313 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG21 HG13 ' A' ' 61' ' ' VAL . 15.6 m -101.61 -38.15 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.07 142.51 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.5 mp -79.68 81.4 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.074 0.464 . . . . 0.0 109.775 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.9 70.57 0.3 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.217 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.1 tp -126.46 101.44 6.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.56 133.57 51.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.214 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -72.77 93.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.828 0.823 . . . . 0.0 109.544 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -109.89 5.02 22.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.342 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -81.05 85.84 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.635 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -150.94 146.37 26.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -123.43 118.72 28.09 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.027 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.236 172.282 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m 62.95 43.0 7.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.742 0.782 . . . . 0.0 109.236 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -81.12 128.89 34.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.144 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.7 mm? -92.76 30.07 1.64 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.542 0.686 . . . . 0.0 109.39 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.43 140.66 46.68 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.283 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.498 HD11 ' HG3' ' A' ' 55' ' ' LYS . 61.7 mt -83.56 106.91 14.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.244 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.08 117.0 18.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -96.09 141.9 28.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.258 0.551 . . . . 0.0 111.049 -175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.29 -171.28 14.17 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.923 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.39 109.47 6.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.049 0.425 . . . . 0.0 110.662 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.7 m120 71.73 4.77 5.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.629 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.53 137.75 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.396 0.617 . . . . 0.0 112.151 -175.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -122.05 111.41 16.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . 28.3 p90 -126.35 127.35 45.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.535 0.683 . . . . 0.0 111.935 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.87 118.61 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.361 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 177.58 175.67 44.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.75 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.33 -10.81 29.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.309 0.576 . . . . 0.0 110.108 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -156.48 167.54 30.13 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.48 -31.93 72.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.549 . . . . 0.0 110.057 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.29 -24.18 27.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.056 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -108.2 49.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.92 0.866 . . . . 0.0 109.156 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -95.61 112.16 23.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.431 175.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.7 -8.19 54.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -154.95 89.37 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 178.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 14' ' ' TYR . 49.0 tt0 -114.14 118.11 33.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 38' ' ' ILE . 20.2 tt -115.78 131.14 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.093 0.473 . . . . 0.0 110.17 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 82.6 p -125.72 140.63 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -122.46 132.88 54.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.934 0.397 . . . . 0.0 110.142 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 14.2 ptm180 -122.32 144.17 49.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.275 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.88 136.77 38.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.238 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD11 ' A' ' 72' ' ' ILE . 10.6 m -110.98 -48.66 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.214 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -119.62 -91.21 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -128.22 -77.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -95.94 8.45 43.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -108.6 123.68 49.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -111.98 129.34 67.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.364 0.602 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 27.0 t-20 -96.71 128.93 44.13 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.134 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 26' ' ' ILE . 54.4 mt -103.14 98.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -97.06 -22.03 17.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.619 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 25.7 t60 -124.58 113.95 18.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.596 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.599 HG21 ' HB2' ' A' ' 78' ' ' ALA . 23.7 m -138.87 90.93 2.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.486 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.85 74.68 2.17 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.406 -175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 HG22 ' A' ' 41' ' ' THR . 77.2 t -94.82 124.76 47.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -71.48 173.12 8.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.03 33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 48' ' ' GLY . 6.0 mm-40 -89.9 66.37 6.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.36 0.6 . . . . 0.0 110.367 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.447 HD23 ' HG3' ' A' ' 50' ' ' GLN . 12.4 tp 73.34 -22.17 0.24 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.719 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 46' ' ' GLU . . . 83.74 -118.04 4.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.6 174.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.83 4.2 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.71 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HG3' HD23 ' A' ' 47' ' ' LEU . 16.3 tm0? -95.21 -57.76 2.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.4 -47.21 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.61 -45.06 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.682 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.14 -41.13 99.37 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.374 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -73.08 -28.45 62.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.703 0.287 . . . . 0.0 110.943 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 6' ' ' ILE . 48.9 tptt -58.1 -46.6 85.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.942 178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' A' ' 24' ' ' ALA . 71.7 mt -61.97 -53.66 52.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.923 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.8 mp -58.02 -42.18 84.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.991 -175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.44 -40.25 93.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.442 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.23 79.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 26' ' ' ILE . 76.0 t -72.77 -44.64 58.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.635 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 57' ' ' LEU . 83.2 t -59.17 -35.96 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -56.32 -52.18 65.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.447 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -72.39 -31.13 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -65.1 -60.39 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 90' ' ' ASP . 39.1 ttm180 -57.68 -36.81 72.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -55.47 -45.66 76.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.591 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.8 m120 -97.94 6.44 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.21 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.86 17.98 10.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.729 0.776 . . . . 0.0 110.529 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -68.88 142.22 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.852 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -111.71 138.05 48.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.676 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.0 mt -97.84 125.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.16 0.505 . . . . 0.0 112.131 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 10.1 pt -121.55 99.08 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.09 169.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.474 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . -87.78 135.22 33.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -174.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -103.09 -12.15 17.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.667 173.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 6.4 p -73.19 106.79 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.702 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -59.14 -35.02 72.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.36 -47.53 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.809 0.338 . . . . 0.0 111.27 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.645 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . . . -80.14 -36.85 34.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.432 -176.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 63.2 tttm -62.27 -32.02 72.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.472 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -68.25 -18.42 64.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.667 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.4 mtt -74.96 -39.74 61.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 88' ' ' TYR . 28.5 mt -66.44 -36.69 83.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.053 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 31.3 mm-40 -60.51 -36.58 78.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.041 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -93.13 -57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 20.7 tt0 -77.95 107.81 10.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.586 0.708 . . . . 0.0 110.458 -175.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.37 -29.58 67.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.756 -1.111 . . . . 0.0 112.034 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.7 m -58.74 -23.63 60.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 20.5 m-85 -81.65 -13.49 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.679 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 42.6 mt-30 -80.22 9.19 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.141 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' CG ' HH21 ' A' ' 65' ' ' ARG . 15.0 t70 -67.05 -42.4 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.629 0.728 . . . . 0.0 109.367 172.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -108.34 -20.46 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.679 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 63.1 t80 -77.01 136.0 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.583 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.43 88.5 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.123 0.487 . . . . 0.0 110.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.88 157.46 53.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.551 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 95' ' ' LEU . 5.7 mp -101.28 145.5 28.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -112.85 158.29 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.155 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -64.6 154.01 37.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.177 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -93.22 145.51 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.031 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -104.4 -48.14 3.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.939 0.399 . . . . 0.0 110.266 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -107.46 96.15 6.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.964 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -87.18 83.3 7.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.35 0.595 . . . . 0.0 111.182 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.092 178.662 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t 70.3 156.64 0.15 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.82 0.7 . . . . 0.0 110.988 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -140.04 12.75 2.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.018 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.439 ' HB3' ' H ' ' A' ' 5' ' ' GLU . 3.2 mm? -121.48 -151.72 0.49 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.022 -173.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' H ' ' HB3' ' A' ' 4' ' ' LEU . 16.8 mm-40 68.15 -178.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.611 -175.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.12 106.51 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -91.25 113.2 25.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -78.31 158.71 28.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 111.708 -173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.46 177.81 31.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 103.38 2.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.249 0.524 . . . . 0.0 110.698 -178.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 72.14 19.93 4.39 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.176 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.25 148.73 23.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.753 175.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -114.42 135.35 54.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 21.7 p90 -139.98 147.28 40.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.946 0.403 . . . . 0.0 110.702 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HG13 ' A' ' 52' ' ' VAL . 29.1 mt -109.37 122.73 64.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.485 0.66 . . . . 0.0 110.084 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.92 -178.39 31.65 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.46 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.667 ' HB2' HD21 ' A' ' 21' ' ' ASN . 11.6 m-20 -69.58 -39.43 77.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.775 0.787 . . . . 0.0 111.316 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -150.67 -168.6 3.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.784 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -92.59 -12.11 32.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.811 0.338 . . . . 0.0 111.601 -176.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -86.09 -22.73 26.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.481 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.667 HD21 ' HB2' ' A' ' 17' ' ' ASP . 30.4 p-10 -125.43 27.23 6.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.158 0.504 . . . . 0.0 110.12 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 122.57 16.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.734 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.21 -25.56 55.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.419 . . . . 0.0 110.217 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -156.53 130.13 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.454 174.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -131.77 150.01 52.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.321 0.582 . . . . 0.0 110.92 177.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' A' ' 56' ' ' LEU . 16.0 tt -133.27 126.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.955 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 12' ' ' LYS . 14.2 p -105.65 139.76 39.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 14.0 p90 -154.96 144.57 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.9 148.07 29.41 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -77.06 104.47 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.415 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.76 -32.48 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -133.37 -82.43 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.632 0.253 . . . . 0.0 111.187 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -125.49 -64.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.056 0.455 . . . . 0.0 111.041 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -118.22 0.06 11.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.599 0.714 . . . . 0.0 109.829 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -85.17 121.86 28.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.382 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 71' ' ' ILE . 21.4 pt -121.39 125.11 73.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.335 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -106.22 138.05 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.037 0.446 . . . . 0.0 110.512 -179.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 27' ' ' THR . 71.5 mt -96.96 105.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.927 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.4 -53.82 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.516 -173.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -139.33 141.64 37.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -144.51 107.02 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.037 174.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -112.5 106.64 1.91 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.931 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.9 t -108.3 122.83 63.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -69.85 151.43 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -109.77 19.5 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.285 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.09 -26.2 64.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.44 10.09 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.252 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.77 58.38 13.28 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.566 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 115.61 2.76 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.842 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -127.92 154.32 45.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.781 0.324 . . . . 0.0 110.436 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.65 -0.92 81.89 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 15' ' ' ILE . 77.1 t -58.17 -40.82 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 123.457 0.703 . . . . 0.0 111.193 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.76 -55.7 20.95 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.312 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -67.6 -25.41 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.882 0.341 . . . . 0.0 111.469 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.46 -48.6 78.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.317 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD21 HG13 ' A' ' 15' ' ' ILE . 97.1 mt -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 81' ' ' MET . 9.2 mp -60.44 -47.47 85.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.495 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.05 -33.49 76.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.845 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.46 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.224 0.535 . . . . 0.0 110.709 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.09 -45.17 80.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.731 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' LEU . 60.5 t -63.24 -39.84 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.387 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.61 -40.67 97.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.124 0.488 . . . . 0.0 110.231 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -71.45 -27.77 63.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.177 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.66 -36.68 81.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.341 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -65.17 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.44 -65.71 0.65 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.059 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -101.34 16.05 26.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.1 71.16 0.6 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 74.4 mt -103.99 142.89 33.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.884 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -98.1 116.05 29.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.888 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 36' ' ' ILE . 55.7 mt -91.04 116.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.338 -175.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 16.7 pt -121.97 123.01 68.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.049 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.22 115.55 28.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.792 0.33 . . . . 0.0 111.439 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -79.16 -36.28 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.95 122.6 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.39 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 p -58.91 -36.53 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.444 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 81' ' ' MET . 84.1 t80 -61.47 -56.21 22.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.209 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -60.17 -40.54 90.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.783 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 92.1 m-70 -85.04 -23.51 28.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.119 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.507 ' HB3' HD21 ' A' ' 57' ' ' LEU . 83.3 mmm -60.35 -55.45 33.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.71 -20.19 62.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.466 0.65 . . . . 0.0 110.336 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 33.1 tt0 -77.06 -26.86 54.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.385 -176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' LYS . 38.7 mmtm -93.4 2.22 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 0.0 111.217 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -117.74 106.79 13.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.744 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.33 -24.06 65.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.747 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -70.71 -13.69 62.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -103.27 -10.18 18.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.765 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -80.33 78.74 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.33 0.586 . . . . 0.0 110.602 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -164.39 -44.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.97 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 m -95.35 -15.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.712 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -90.49 130.48 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.21 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.04 89.58 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.43 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -90.9 74.86 1.66 Allowed Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.748 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.8 tp -171.0 162.07 7.1 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -77.34 172.88 12.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -79.06 80.03 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 122.384 1.088 . . . . 0.0 109.428 174.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.04 -0.92 43.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.413 -174.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -90.39 120.81 31.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.958 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -84.93 -68.64 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.369 0.604 . . . . 0.0 109.791 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -146.25 -35.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.081 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.5 m80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.108 -0.949 . . . . 0.0 109.265 175.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m 66.38 -83.18 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.908 -173.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -159.58 25.31 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.692 0.282 . . . . 0.0 110.544 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.76 -3.26 58.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.11 112.95 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.115 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.557 HG12 HD11 ' A' ' 15' ' ' ILE . 62.9 mt -60.98 113.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.377 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 42.3 mmtm -95.67 141.81 28.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.257 0.551 . . . . 0.0 111.013 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.11 143.05 33.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.119 -176.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.67 -167.69 11.55 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.93 98.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.851 0.325 . . . . 0.0 110.992 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.14 27.96 15.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.59 0.556 . . . . 0.0 111.335 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.554 ' HB3' HG22 ' A' ' 27' ' ' THR . 14.7 ptmm? -149.2 148.56 29.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.042 0.449 . . . . 0.0 111.337 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -118.8 137.72 53.19 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -138.68 138.11 37.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.378 0.609 . . . . 0.0 111.405 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.642 HG13 HD21 ' A' ' 56' ' ' LEU . 53.5 mt -119.69 137.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.352 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.07 -153.54 25.38 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.918 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.0 t70 -70.01 -52.05 27.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.006 0.431 . . . . 0.0 111.496 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -160.87 -177.66 6.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.9 -29.01 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.38 -33.29 63.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.334 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 47.0 m-80 -122.27 55.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.125 -177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.18 128.27 35.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 47' ' ' LEU . 92.3 mt -91.56 -19.12 23.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.104 0.478 . . . . 0.0 109.859 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.49 109.07 1.45 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.109 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.5 140.23 52.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.303 0.573 . . . . 0.0 110.964 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -130.73 133.37 63.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.055 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HB3' ' A' ' 12' ' ' LYS . 72.5 p -110.73 139.05 46.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 -178.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -133.27 103.74 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.717 0.77 . . . . 0.0 109.438 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -114.69 159.25 20.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.453 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -83.65 128.18 34.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG21 HD11 ' A' ' 72' ' ' ILE . 14.2 m -101.21 -13.57 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.827 0.822 . . . . 0.0 108.835 169.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.593 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.0 t70 -155.34 176.66 12.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.174 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.27 -31.97 72.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 3.4 p-10 -124.56 15.04 8.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 111.278 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 45.6 mt-10 -130.18 130.46 44.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.901 0.381 . . . . 0.0 110.484 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.3 pt -122.39 153.97 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.412 HD22 ' H ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -126.28 149.75 48.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.176 177.75 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.8 mp -100.13 110.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 9.6 m-20 -76.35 -65.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 -177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -116.13 137.74 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.363 -174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 17.2 m -140.19 88.67 2.23 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.756 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.77 74.65 0.23 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.831 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 ' HA2' ' A' ' 53' ' ' GLY . 61.2 t -94.83 102.85 14.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 m -64.05 126.93 29.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.227 0.537 . . . . 0.0 110.517 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -88.1 -4.11 58.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.99 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.67 -17.35 63.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.073 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 23' ' ' LEU . 88.9 mt -69.49 -9.78 55.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.95 -129.14 9.79 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.652 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.03 27.29 19.84 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.373 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -88.25 118.47 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.01 53.44 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.383 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 HD12 ' A' ' 15' ' ' ILE . 49.4 t -60.09 -41.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 -178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -60.34 -44.11 97.89 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.759 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 25.9 ttmt -65.86 -39.99 91.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.526 0.203 . . . . 0.0 111.228 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -42.63 87.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.015 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 15' ' ' ILE . 87.8 mt -65.21 -46.41 80.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 82' ' ' LEU . 51.2 tp -65.4 -35.34 80.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.82 -49.45 73.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.571 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.11 86.62 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.61 -46.51 94.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 88' ' ' TYR . 86.6 t -64.6 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.878 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.78 -43.81 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.359 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -63.7 -41.17 98.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.069 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.65 78.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.924 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -56.09 -48.62 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.31 -45.62 79.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.187 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.44 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -85.78 1.75 48.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.95 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER 64.34 33.01 11.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 61.0 mt -86.62 145.26 26.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.599 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 4.8 mptp? -96.53 139.21 32.96 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.6 mt -108.87 122.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.33 0.586 . . . . 0.0 112.3 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 31' ' ' VAL . 12.0 pt -123.76 108.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 170.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.414 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -86.8 111.24 20.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.296 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.4 t -72.33 -41.54 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.424 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 52.1 t -64.04 117.1 6.57 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.937 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 45.5 m -64.81 -16.8 63.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.154 -175.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.87 -50.03 58.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.52 62.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.273 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.619 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 38.4 ttmt -52.23 -57.37 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.586 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 57.6 m-70 -69.01 -21.45 64.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.7 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.3 ttm -73.07 -36.81 66.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 109.913 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 57' ' ' LEU . 83.7 mt -72.04 -29.45 64.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.293 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 74.8 mt-10 -68.64 -40.72 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.7 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 30.7 mmtp -85.94 -44.53 12.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.89 -169.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -87.48 118.78 27.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.12 -26.14 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.754 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -60.44 -24.78 65.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.819 0.343 . . . . 0.0 110.717 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 61' ' ' VAL . 24.0 m-85 -100.51 -22.86 14.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.1 tt0 -69.4 -14.44 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.442 -173.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.69 -40.64 92.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 111.13 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.63 7.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.604 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.853 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 69.6 t80 -100.49 136.41 40.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 70' ' ' LYS . 7.4 mp -81.13 -69.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.273 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.28 107.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.864 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.613 HD12 ' HG3' ' A' ' 79' ' ' LYS . 90.2 mt -107.36 27.93 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.555 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -130.28 -78.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.98 0.419 . . . . 0.0 110.124 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -143.09 107.23 4.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.069 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -109.52 1.38 19.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -171.63 159.67 5.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.494 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -84.44 -79.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -138.08 -24.2 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.872 171.365 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -72.46 90.79 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.881 0.372 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -158.75 146.27 17.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.858 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -116.29 -94.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.651 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.858 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 55.1 mt-10 66.56 135.08 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.39 0.676 . . . . 0.0 111.717 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.8 mt -78.75 93.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -84.51 116.7 23.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.599 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -100.32 138.88 36.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.361 0.6 . . . . 0.0 110.76 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.35 142.96 5.73 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.909 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 45.48 46.15 10.67 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.011 0.924 . . . . 0.0 113.181 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 69.51 16.48 8.15 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.968 0.507 . . . . 0.0 111.086 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' THR . 33.9 ttpt -125.32 127.13 46.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.258 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -101.1 104.01 15.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 35.5 p90 -120.03 126.8 51.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.413 0.625 . . . . 0.0 111.251 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.558 HG13 HD21 ' A' ' 56' ' ' LEU . 29.0 mt -90.27 115.01 28.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.504 173.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.4 163.6 30.07 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.954 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.46 -8.7 58.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.509 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 17.4 t70 -158.41 161.81 37.54 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.23 -40.68 94.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.291 . . . . 0.0 110.598 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -83.87 -3.83 58.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 35.7 m-80 -117.9 30.79 7.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.43 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 14' ' ' TYR . . . -76.25 109.75 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.055 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.99 -26.73 48.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.298 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -146.37 98.72 3.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.984 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.1 pt-20 -116.21 116.63 28.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.47 . . . . 0.0 111.356 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' HB ' HG23 ' A' ' 41' ' ' THR . 15.1 tt -106.42 118.32 53.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.156 0.503 . . . . 0.0 109.981 176.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' ' 12' ' ' LYS . 82.2 p -110.3 140.04 44.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 -175.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' HB3' HG13 ' A' ' 38' ' ' ILE . 32.3 p90 -146.62 134.42 21.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.105 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 29' ' ' ARG . 51.8 mtm180 -109.16 143.47 38.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.075 0.464 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -81.2 87.4 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.152 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -76.77 -20.5 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.217 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 23.2 t0 -153.07 52.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.441 0.638 . . . . 0.0 110.034 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 66.65 -77.29 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.942 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 4.1 m-20 -89.8 -9.55 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.852 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 2.9 tp10 -86.32 105.42 16.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.276 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.62 HD11 HG12 ' A' ' 71' ' ' ILE . 31.8 pt -105.87 116.52 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.63 0.729 . . . . 0.0 111.427 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HA ' HG13 ' A' ' 72' ' ' ILE . 6.7 t30 -98.61 113.04 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' A' ' 28' ' ' TYR . 2.2 mp -78.98 108.2 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.78 -56.04 9.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.712 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -152.59 142.88 22.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.956 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 43' ' ' VAL . 22.2 m -108.9 89.2 2.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.63 78.9 1.94 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.601 -173.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 41' ' ' THR . 43.9 t -104.65 121.65 56.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.6 t -69.79 130.92 43.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.47 0.653 . . . . 0.0 109.843 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.72 86.94 2.5 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.56 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -116.07 9.02 14.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.768 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt -140.53 -61.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.765 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.89 -162.51 30.89 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.64 82.4 0.71 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.487 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.483 ' OE1' ' HA ' ' A' ' 50' ' ' GLN . 5.8 tp60 -90.68 168.17 11.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.4 -30.46 58.56 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 116.486 -0.324 . . . . 0.0 113.685 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.2 -39.56 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 111.601 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.61 -52.44 52.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.55 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -74.22 -20.78 60.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.699 -0.295 . . . . 0.0 110.929 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.95 -40.6 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.343 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 15' ' ' ILE . 73.9 mt -67.54 -50.66 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.64 -37.39 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -54.72 -55.36 30.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.756 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 26' ' ' ILE . 59.6 t -67.6 -51.72 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.12 -178.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.59 -38.87 83.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.708 0.29 . . . . 0.0 110.912 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 35.1 tt0 -61.88 -50.83 70.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -66.97 -34.18 77.2 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.568 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.34 -52.49 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.219 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -62.12 -30.06 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.3 mt-10 -58.34 -47.75 82.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.989 0.423 . . . . 0.0 111.225 175.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 35.4 m-80 -101.8 12.34 37.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.806 -171.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 62.85 35.06 13.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.679 0.752 . . . . 0.0 110.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 64' ' ' ALA . 74.5 mt -82.95 134.89 35.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 93' ' ' LEU . 8.8 mtmp? -103.07 131.18 50.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.112 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.62 HG12 HD11 ' A' ' 36' ' ' ILE . 42.1 mt -94.75 119.36 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.298 -169.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.551 HG13 ' HA ' ' A' ' 37' ' ' ASN . 16.1 pt -118.48 106.42 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.724 170.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.72 116.07 27.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.351 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.8 t -88.92 -16.53 31.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.41 138.72 31.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.683 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -59.43 -44.18 92.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.543 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.34 -57.78 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.421 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.87 93.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.388 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -65.36 -29.27 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -72.84 -38.81 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.979 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.2 mtp -69.91 -48.42 58.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.11 -30.96 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.397 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -84.83 -17.34 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -86.14 -29.69 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 109.63 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.41 111.62 22.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.159 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.401 ' HA ' HE21 ' A' ' 89' ' ' GLN . 25.7 t70 -62.39 -38.68 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -173.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.4 m -68.56 -28.16 66.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.132 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -80.47 -11.27 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.681 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.881 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 41.1 mt-30 -81.76 7.52 12.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.546 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.09 -55.6 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.372 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -9.67 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.769 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.881 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 59.0 t80 -83.21 119.36 24.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.193 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.4 pt? -114.23 -33.45 5.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.673 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.42 -132.82 30.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.468 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.93 134.69 40.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.364 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.65 -55.64 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.003 0.43 . . . . 0.0 109.992 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -110.97 145.68 37.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.308 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -65.68 98.03 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.005 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.482 ' HD2' ' O ' ' A' ' 100' ' ' HIS . 2.4 t60 -100.53 139.63 35.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.774 -173.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.482 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 4.9 t60 -81.51 142.35 32.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.338 176.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -64.89 156.32 31.36 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.843 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.017 177.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.722 0.296 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -133.28 -72.43 0.5 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.295 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -159.14 147.16 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.67 83.38 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.514 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.6 139.58 49.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.413 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -79.83 97.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.152 0.501 . . . . 0.0 110.383 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.6 mmmm -86.9 130.17 34.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.772 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.38 130.24 53.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.87 -146.71 8.8 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.312 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 85.05 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.989 0.516 . . . . 0.0 110.662 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.64 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 49.6 m-80 45.86 49.49 11.68 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.863 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 27' ' ' THR . 60.1 pttt -153.73 163.78 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.75 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -120.98 134.14 55.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 3.6 p90 -149.47 140.11 22.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.355 0.598 . . . . 0.0 110.824 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 HD21 ' A' ' 56' ' ' LEU . 58.1 mt -125.09 124.82 68.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.169 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.3 -178.89 47.31 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.054 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.33 -25.99 38.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.792 0.806 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 23.0 t70 -153.48 169.13 23.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.804 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.409 0.623 . . . . 0.0 109.807 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -76.88 -34.08 57.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.759 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.6 m-20 -92.87 39.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.223 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 112.06 5.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.248 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -84.96 -31.91 23.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -139.78 105.37 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.08 177.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 148.75 45.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.963 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -150.29 117.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.238 0.542 . . . . 0.0 110.051 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.445 HG22 ' CB ' ' A' ' 12' ' ' LYS . 39.3 p -107.04 139.67 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.081 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -131.13 165.07 24.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.64 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.6 153.42 43.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.397 178.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.42 100.44 13.04 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 m -78.54 -41.75 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.941 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.85 -88.52 0.62 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.764 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -123.91 -65.93 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.242 -0.287 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 91.9 m-20 -113.41 -5.39 13.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.211 0.529 . . . . 0.0 110.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.87 114.51 15.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.466 HD11 HG12 ' A' ' 71' ' ' ILE . 23.6 pt -104.03 123.38 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.206 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' HG13 ' A' ' 72' ' ' ILE . 35.7 t30 -102.58 118.19 36.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.819 -177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.0 110.74 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -60.52 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.973 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -124.04 147.39 47.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.99 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -132.43 88.17 2.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.089 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.81 61.22 4.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.97 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 75.0 t -97.11 122.69 48.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 t -65.33 136.35 56.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.623 0.725 . . . . 0.0 111.149 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -105.43 -6.49 19.45 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.74 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -90.63 -9.96 45.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.815 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.74 -61.48 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.733 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.83 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.032 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.14 120.61 6.94 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.127 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -92.68 4.9 52.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.582 0.23 . . . . 0.0 110.959 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -57.12 -30.05 60.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.202 177.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.91 -27.44 38.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 122.439 0.296 . . . . 0.0 111.476 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.98 94.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.668 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -78.91 -22.9 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.519 0.199 . . . . 0.0 110.476 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 73.2 mmtt -60.22 -53.7 54.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 175.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -69.09 -39.51 78.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.44 -42.35 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.843 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -64.28 -40.96 97.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.238 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.7 89.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.877 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 56' ' ' LEU . 96.0 t -66.31 -52.08 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.636 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.2 t -58.54 -46.9 89.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 31.5 tt0 -60.09 -48.04 83.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.374 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.492 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 78.0 t60 -69.65 -31.69 69.92 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.965 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.3 92.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.253 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -62.5 -33.43 74.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.518 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 42.8 mt-10 -60.31 -49.6 76.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.045 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -99.49 11.77 38.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.849 -172.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 59.82 37.31 21.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.623 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 83.2 mt -84.16 150.83 25.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.546 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -106.01 123.79 48.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.657 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.553 ' HB ' ' HA ' ' A' ' 92' ' ' TYR . 58.2 mt -92.57 120.85 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.88 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 37' ' ' ASN . 29.9 pt -128.75 155.29 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.904 171.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.24 126.55 19.97 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.868 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -84.04 -25.48 29.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.98 107.5 9.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.989 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.445 ' HA ' ' HB3' ' A' ' 79' ' ' LYS . 17.2 m -62.18 -28.44 69.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.663 -176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.96 -53.0 63.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.307 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HA ' ' HE2' ' A' ' 81' ' ' MET . . . -72.58 -36.21 68.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 61.9 tttm -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.3 -22.78 61.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.231 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 78' ' ' ALA . 68.7 mtm -71.92 -38.78 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.038 0.447 . . . . 0.0 109.993 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' CD2' ' A' ' 88' ' ' TYR . 46.6 mt -71.85 -33.38 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.222 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.25 -30.4 62.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -80.49 -27.93 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 88' ' ' TYR . 6.5 tp10 -90.52 106.01 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.221 0.534 . . . . 0.0 110.189 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.436 ' HA ' HE21 ' A' ' 89' ' ' GLN . 5.1 m-20 -60.39 -28.43 68.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.284 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 m -75.19 -0.58 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 85' ' ' GLU . 21.0 m-30 -105.19 -3.36 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.074 -0.391 . . . . 0.0 111.306 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 86' ' ' ASP . 43.1 mt-30 -81.62 28.22 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -173.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -108.74 -21.11 12.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.856 0.36 . . . . 0.0 110.121 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.426 HG21 HG13 ' A' ' 61' ' ' VAL . 10.9 m -120.28 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 30.4 t80 -80.28 127.45 32.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.979 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.8 66.73 8.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.133 0.492 . . . . 0.0 111.305 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.44 1.28 57.14 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 173.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 1.5 pp -91.39 32.1 1.09 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.601 -0.8 . . . . 0.0 110.834 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -55.34 -47.16 76.11 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.642 -172.504 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 17.6 p80 174.34 -37.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 172.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -96.91 -32.32 12.12 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.724 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 10.5 m80 53.92 -161.06 0.13 Allowed 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.215 0.322 . . . . 0.0 110.626 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.542 ' HD2' ' H ' ' A' ' 102' ' ' HIS . 40.1 t60 61.86 -84.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.926 0.49 . . . . 0.0 111.912 170.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 177.6 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.542 ' H ' ' HD2' ' A' ' 100' ' ' HIS . 32.7 t-80 . . . . . 0 C--O 1.241 0.628 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.449 168.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 ttp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.919 0.39 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -115.65 -167.27 1.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -98.74 -21.53 16.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.751 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.7 pt? -90.42 33.04 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.907 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 2' ' ' SER . 6.3 mm-40 -68.82 125.45 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.482 HG12 HD11 ' A' ' 15' ' ' ILE . 57.9 mt -73.8 106.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.901 0.381 . . . . 0.0 109.988 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.01 137.9 39.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.062 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.32 149.26 22.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.8 0.333 . . . . 0.0 110.173 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.42 -166.76 14.17 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.978 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 21.8 mp0 -63.46 101.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.26 0.224 . . . . 0.0 110.716 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 m120 60.52 27.08 16.73 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.618 0.573 . . . . 0.0 111.432 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 27' ' ' THR . 22.5 pttm -157.19 160.05 38.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 0.0 112.039 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.24 134.45 50.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -136.97 138.64 40.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.469 0.652 . . . . 0.0 111.718 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 56' ' ' LEU . 42.7 mt -110.76 123.0 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.787 177.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . 174.55 163.39 27.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.133 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' HD22 ' A' ' 21' ' ' ASN . 20.2 t70 -67.8 -42.89 80.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.586 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -132.93 167.01 21.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.211 0.529 . . . . 0.0 109.914 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -85.83 -31.3 22.35 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.548 HD22 ' HB3' ' A' ' 17' ' ' ASP . 62.9 t30 -98.84 43.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.879 -177.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -80.36 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.005 177.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -86.76 -18.97 29.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.701 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -161.55 112.54 1.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.85 140.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.219 0.533 . . . . 0.0 110.617 177.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.46 130.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.347 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 12' ' ' LYS . 70.3 p -111.12 138.33 47.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -118.85 119.65 34.99 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -102.77 148.55 25.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -97.76 106.79 19.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.728 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 37' ' ' ASN . 15.2 m -86.33 -42.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.778 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.99 99.91 2.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 0.0 111.63 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 60.6 -82.76 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.711 172.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -118.09 1.42 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.97 111.51 23.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 pt -111.44 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.1 p30 -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.98 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 78' ' ' ALA . 2.1 mp -70.69 110.84 3.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.46 -42.75 13.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.737 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -140.43 141.4 35.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.2 m -146.97 97.62 2.92 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.706 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -107.51 91.13 0.68 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.439 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 24' ' ' ALA . 47.4 t -106.05 106.53 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.819 0.343 . . . . 0.0 110.703 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 p -91.1 123.66 34.73 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -87.56 -50.77 6.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.581 -176.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 56.47 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.801 0.84 . . . . 0.0 112.041 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.78 -33.15 66.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.149 0.5 . . . . 0.0 109.787 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.6 -44.19 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.005 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' HG23 ' A' ' 52' ' ' VAL . . . 86.35 -44.74 3.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.682 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 62.35 -88.43 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.096 0.558 . . . . 0.0 111.058 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -156.76 35.34 0.58 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.563 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 49' ' ' GLY . 60.7 t -56.39 -45.11 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.857 0.361 . . . . 0.0 110.538 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -61.37 -39.35 97.14 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.305 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -68.43 -35.17 77.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.552 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 67.7 mttm -68.06 -38.84 82.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.311 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 15' ' ' ILE . 74.2 mt -61.07 -48.39 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.968 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.1 mp -54.98 -47.52 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.747 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 25.0 ttpp -57.87 -46.66 84.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.87 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.024 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 56' ' ' LEU . 89.4 t -62.77 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.06 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 91' ' ' VAL . 91.2 t -58.75 -44.65 90.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 177.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 38.1 mm-40 -55.89 -56.8 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.994 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -62.78 -39.42 94.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.754 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.19 97.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -33.02 75.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.233 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 48.5 mt-10 -69.59 -35.75 75.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.802 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.581 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m120 -96.94 -0.46 47.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.312 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.8 t30 57.59 47.11 16.54 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.825 0.821 . . . . 0.0 110.651 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.2 mt -90.35 147.56 23.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.818 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -106.04 137.03 44.67 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -110.57 126.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 0.0 112.682 -169.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.2 pt -125.43 176.8 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.504 167.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.6 129.56 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.268 -0.573 . . . . 0.0 112.035 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -90.65 -32.66 16.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.0 t -75.13 119.9 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.113 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -63.52 -36.19 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.91 -46.73 81.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' HG21 ' A' ' 38' ' ' ILE . . . -74.65 -38.81 62.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.9 -40.52 80.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.163 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -66.87 -33.5 75.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.7 mtm -73.5 -43.16 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.789 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.5 -30.55 71.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.042 0.448 . . . . 0.0 110.944 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.33 -25.41 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.056 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.12 -32.77 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -120.79 117.2 26.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 0.0 110.052 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.472 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 17.3 m-20 -77.05 3.94 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.489 -173.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 m -74.5 -16.1 60.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.948 0.404 . . . . 0.0 110.503 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -87.98 1.13 54.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.838 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 86' ' ' ASP . 47.6 mt-30 -62.8 -14.83 50.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.03 -36.56 80.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.193 0.521 . . . . 0.0 110.998 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG21 HG22 ' A' ' 61' ' ' VAL . 15.2 m -110.0 -39.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -84.29 112.96 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.9 mt -86.49 -73.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.19 113.83 0.44 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.005 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.95 104.74 15.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.596 -0.355 . . . . 0.0 110.358 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' OE2' ' HA ' ' A' ' 100' ' ' HIS . 6.2 pt-20 -63.33 -41.46 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.206 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.0 t60 65.73 -78.94 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.447 0.699 . . . . 0.0 112.633 172.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -61.87 -64.27 0.99 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.261 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -80.39 118.61 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 167.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.42 ' HA ' ' OE2' ' A' ' 96' ' ' GLU . 16.4 p-80 -129.72 108.39 10.15 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.244 0.545 . . . . 0.0 111.404 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 60.35 31.48 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.127 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.702 179.692 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.614 0.245 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -78.08 107.74 10.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.99 0.424 . . . . 0.0 110.094 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -156.69 -170.15 3.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mp 59.77 25.16 14.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.259 0.552 . . . . 0.0 110.246 -176.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.89 -174.92 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.851 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' A' ' 59' ' ' ALA . 56.5 mt -78.71 105.8 8.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.487 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -94.39 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -79.7 156.5 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.764 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.66 -158.7 10.14 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.828 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.63 90.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.375 0.67 . . . . 0.0 112.361 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 m120 56.16 23.79 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.941 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.586 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -156.42 148.01 22.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.861 -177.094 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -105.22 133.99 49.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -134.8 150.83 50.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.389 0.614 . . . . 0.0 111.71 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -123.2 116.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.047 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.68 166.6 30.66 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.176 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.63 -35.29 80.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -159.48 168.38 26.37 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 38.8 mt-10 -71.57 -22.5 61.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.66 0.664 . . . . 0.0 111.281 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.44 -31.32 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -110.01 31.19 6.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.716 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 19' ' ' GLU . . . -67.27 106.72 2.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.02 -37.09 69.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -155.65 128.79 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 4.7 pt-20 -138.61 143.04 39.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.172 172.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.94 113.13 36.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.586 HG22 ' HB3' ' A' ' 12' ' ' LYS . 32.6 p -89.12 140.66 29.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.187 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 44.4 p90 -134.91 128.79 33.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.221 0.534 . . . . 0.0 110.398 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.67 166.57 12.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.885 -178.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -101.22 105.98 17.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.0 -26.42 19.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -136.63 -75.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.692 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -165.23 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' OD1' HD23 ' A' ' 69' ' ' LEU . 60.4 t30 -89.46 -6.59 56.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.938 0.875 . . . . 0.0 109.747 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.802 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 34.5 mt-10 -107.38 115.34 29.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.722 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 33.5 pt -112.55 135.34 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.148 0.499 . . . . 0.0 110.851 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.2 p-10 -109.37 138.56 45.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -178.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 27' ' ' THR . 3.1 mp -85.24 102.26 10.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -58.81 -68.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.34 0.591 . . . . 0.0 110.395 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 14.4 p-80 -132.57 149.45 52.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.098 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 43' ' ' VAL . 12.0 m -113.32 94.45 4.88 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -80.76 63.09 4.3 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.758 -172.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 41' ' ' THR . 92.8 t -96.16 119.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.472 ' OG ' ' HG2' ' A' ' 46' ' ' GLU . 22.7 t -70.22 148.98 47.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.028 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.01 -18.86 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.472 ' HG2' ' OG ' ' A' ' 44' ' ' SER . 10.7 pt-20 -76.32 87.33 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.43 0.633 . . . . 0.0 111.335 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.5 tp 72.38 -5.24 1.84 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.351 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.34 -20.71 63.53 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.7 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.99 -4.49 89.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.924 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -94.7 88.23 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.155 0.478 . . . . 0.0 110.468 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.05 -47.71 2.91 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.97 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.5 t -49.88 -48.05 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 123.071 0.548 . . . . 0.0 112.152 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.55 -38.27 80.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -79.61 -21.84 44.43 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.552 -0.381 . . . . 0.0 110.806 -176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.49 -35.91 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 109.864 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD11 ' HB1' ' A' ' 24' ' ' ALA . 81.4 mt -69.25 -41.12 77.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.49 -42.57 92.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.86 -46.11 78.3 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.567 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -53.52 -49.45 67.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.448 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.04 -45.77 62.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.346 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.59 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.639 0.257 . . . . 0.0 111.093 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.41 -52.15 66.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.467 . . . . 0.0 110.492 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -70.17 -27.03 64.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.071 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.92 87.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.331 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.941 HH12 ' HB2' ' A' ' 90' ' ' ASP . 14.5 mmt180 -57.79 -41.11 81.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.101 0.477 . . . . 0.0 110.536 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.52 -56.69 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.612 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.546 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -87.99 -4.44 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.021 -170.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.9 OUTLIER 66.94 34.49 5.26 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.09 0.472 . . . . 0.0 110.198 -178.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 63.7 mt -73.61 151.7 40.77 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.398 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.802 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 89.6 mttt -92.76 135.08 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.535 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 49.6 mm -108.69 115.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.109 0.48 . . . . 0.0 111.6 -176.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.8 148.62 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.201 171.245 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.84 140.07 52.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.8 t -92.99 -37.68 12.07 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 53.2 t -63.69 117.41 6.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.384 177.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -56.89 -38.54 72.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.02 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -57.82 -56.87 16.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.902 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.24 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.23 -45.13 91.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.536 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -70.56 -26.41 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.168 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 24.7 ttp -77.98 -42.63 32.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.23 -28.85 69.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.79 -19.13 55.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.503 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -97.54 -41.05 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.547 -175.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -88.31 141.99 28.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.326 0.584 . . . . 0.0 111.512 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.45 -27.95 56.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.051 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 p -64.33 -15.92 61.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -105.37 -3.05 23.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.6 0.238 . . . . 0.0 111.075 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.3 1.34 9.68 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.166 0.507 . . . . 0.0 112.178 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.941 ' HB2' HH12 ' A' ' 65' ' ' ARG . 46.4 m-20 -95.37 -39.78 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.96 0.409 . . . . 0.0 110.706 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' HB ' HG12 ' A' ' 71' ' ' ILE . 14.8 m -99.33 -34.85 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 33.3 t80 -71.67 127.02 31.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.909 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.43 73.47 3.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 110.791 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.81 9.18 73.52 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.487 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.5 pt? -60.67 -38.38 84.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.192 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.21 86.28 4.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.7 0.762 . . . . 0.0 111.087 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -109.75 34.64 3.71 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.673 174.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -60.56 119.44 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.922 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.0 t60 63.14 92.82 0.06 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.87 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -130.33 94.52 3.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.401 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -143.78 111.23 5.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.471 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.514 178.257 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.942 0.401 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -96.23 74.29 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.603 HD21 ' HB3' ' A' ' 5' ' ' GLU . 5.1 p-10 -177.98 163.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.098 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.17 79.78 9.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 3' ' ' ASN . 6.7 pt-20 -89.26 144.17 26.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.83 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.468 HD11 ' HG2' ' A' ' 55' ' ' LYS . 54.8 mt -91.6 116.41 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.665 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.16 120.42 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' HD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -95.06 135.48 36.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.784 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.88 -172.09 22.27 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.438 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.88 99.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 111.731 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.5 m120 62.66 15.48 8.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.542 -0.753 . . . . 0.0 112.718 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 27' ' ' THR . 8.5 ptpp? -142.53 140.15 31.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.365 0.603 . . . . 0.0 111.976 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HD1' ' HA ' ' A' ' 8' ' ' GLN . 36.4 m-85 -120.72 122.22 39.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 25' ' ' GLU . 30.5 p90 -138.85 145.9 40.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.208 0.528 . . . . 0.0 112.045 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG13 HD21 ' A' ' 56' ' ' LEU . 68.3 mt -111.09 119.93 60.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.734 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.8 175.72 37.83 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.13 -28.21 20.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.424 0.612 . . . . 0.0 110.276 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -138.61 166.59 23.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.98 -28.52 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.628 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.02 -53.17 33.82 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -99.0 33.59 2.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.939 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.77 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.84 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.14 -34.5 77.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.92 123.75 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 174.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -127.24 138.04 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.603 174.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -120.73 131.09 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.075 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 12' ' ' LYS . 33.9 p -117.36 137.84 52.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 35.1 p90 -135.27 139.35 44.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.032 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -127.2 141.33 51.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.989 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -76.41 111.25 11.67 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG13 HD22 ' A' ' 37' ' ' ASN . 7.5 m -82.4 -43.96 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.341 -177.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.528 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 15.6 t70 -116.73 -77.94 0.57 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.229 -177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -138.98 -78.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -95.0 -3.46 48.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.27 0.557 . . . . 0.0 110.316 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 52.6 mp0 -81.47 110.57 17.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.998 176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 HG12 ' A' ' 71' ' ' ILE . 33.9 pt -104.76 132.25 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.3 p30 -109.09 132.03 54.5 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.778 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.55 104.31 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.442 174.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.79 -43.83 57.73 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.656 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -149.38 137.1 20.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.092 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 43' ' ' VAL . 48.5 m -135.35 99.08 4.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.631 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -101.6 85.51 0.56 Allowed Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.732 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' THR . 52.8 t -97.58 105.79 17.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -81.46 122.41 27.49 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.258 0.552 . . . . 0.0 109.712 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -113.52 103.69 11.52 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.926 0.87 . . . . 0.0 110.252 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -85.36 17.07 3.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.87 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt 71.23 3.49 4.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.613 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.03 156.64 27.71 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 25.28 70.76 Favored Glycine 0 C--O 1.234 0.153 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.367 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -108.54 -175.08 2.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 111.618 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.18 6.82 25.53 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.526 HG13 HD12 ' A' ' 15' ' ' ILE . 61.7 t -74.4 -35.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.571 -0.815 . . . . 0.0 110.593 -177.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.53 94.16 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.852 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.44 -34.38 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.584 0.231 . . . . 0.0 110.93 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.8 ttmm -64.69 -37.06 86.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 110.174 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HG13 ' A' ' 15' ' ' ILE . 95.5 mt -66.32 -50.35 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.26 -35.73 78.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.48 -48.0 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.93 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 56' ' ' LEU . 91.7 t -63.62 -54.02 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 91.9 t -61.51 -37.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.701 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -55.34 -52.15 64.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 110.385 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -67.81 -30.67 70.14 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.02 -32.52 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.364 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 17.7 mmm180 -67.07 -43.4 82.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.364 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.52 -61.2 2.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.132 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 68' ' ' ASN . 37.0 m-80 -89.42 -8.2 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.423 -171.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 67' ' ' ASN . 8.8 t30 68.09 84.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.897 0.856 . . . . 0.0 109.641 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.49 148.48 37.8 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.732 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.714 ' HB3' HD11 ' A' ' 93' ' ' LEU . 97.0 mttt -105.33 123.69 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 36' ' ' ILE . 64.2 mt -99.94 117.64 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.216 0.531 . . . . 0.0 112.092 -172.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.66 HG23 HD13 ' A' ' 93' ' ' LEU . 15.3 pt -117.55 148.93 20.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.056 170.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.38 117.16 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.893 0.378 . . . . 0.0 111.712 -175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -88.8 -25.77 22.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.23 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 49.2 t -81.9 124.4 29.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.901 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 m -61.77 -45.22 94.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.482 ' HE2' ' HB ' ' A' ' 43' ' ' VAL . 72.4 t80 -60.14 -41.03 91.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.07 84.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.039 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.4 -36.89 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -66.25 -30.71 71.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.272 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.5 mtp -73.45 -36.99 65.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.47 -38.35 89.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.24 -33.77 76.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.337 175.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -70.8 -49.61 44.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -99.17 92.0 5.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 109.979 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.451 ' HA ' HE21 ' A' ' 89' ' ' GLN . 7.1 p-10 -72.11 -8.37 54.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.101 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -64.0 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.12 0.486 . . . . 0.0 110.441 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 61' ' ' VAL . 21.3 m-85 -85.46 -13.76 48.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.769 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 mt-30 -76.32 5.02 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.66 -39.38 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 109.933 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.8 m -98.73 2.02 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.682 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.769 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 33.9 t80 -88.97 114.42 25.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.555 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.774 HD12 ' H ' ' A' ' 93' ' ' LEU . 2.5 mp -66.72 -39.78 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.588 -176.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.471 ' HA2' ' CZ ' ' A' ' 92' ' ' TYR . . . 86.24 157.22 29.35 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.179 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.1 mt -95.06 147.79 23.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.75 122.71 17.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.012 0.434 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -105.81 41.92 1.32 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.355 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -77.5 171.06 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -138.9 151.09 46.66 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -96.24 94.3 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -173.72 122.94 0.35 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.066 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.488 178.474 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 121.156 0.503 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -142.16 162.49 35.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.229 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -93.32 17.53 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 109.732 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.9 mt -128.96 37.43 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.271 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -98.35 157.16 16.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.499 HG12 HD11 ' A' ' 15' ' ' ILE . 55.9 mt -86.36 114.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.937 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 148.95 22.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.484 HE21 ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -112.99 129.51 56.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.99 0.424 . . . . 0.0 111.326 -173.286 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.32 -173.23 13.26 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.785 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 26.6 mt-10 -70.46 100.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.498 0.189 . . . . 0.0 110.888 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 12.4 m120 72.74 9.98 5.55 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.104 178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HB3' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -139.42 143.22 37.54 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.091 -0.644 . . . . 0.0 112.377 -179.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -112.23 127.13 55.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -131.61 133.97 45.53 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.459 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.499 HD11 HG12 ' A' ' 6' ' ' ILE . 69.1 mt -111.3 127.13 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.934 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.69 175.26 40.5 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.385 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.12 -37.27 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.215 0.531 . . . . 0.0 110.565 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -146.18 170.25 17.11 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -61.86 -36.76 82.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -74.78 -37.09 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.136 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.43 37.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.73 105.12 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.094 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.06 -31.37 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -150.87 117.68 5.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -122.88 139.37 54.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.125 0.488 . . . . 0.0 110.318 175.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.537 ' HB ' HG23 ' A' ' 41' ' ' THR . 13.5 tt -125.72 123.68 64.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.602 HG22 ' HB3' ' A' ' 12' ' ' LYS . 28.3 p -105.36 138.12 42.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.548 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.8 p90 -146.28 137.71 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -139.41 144.97 38.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.646 0.26 . . . . 0.0 110.848 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -68.42 110.22 4.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.935 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.13 -27.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 0.0 110.468 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.26 94.61 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 59.4 -82.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.585 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -104.38 -14.4 15.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.622 0.249 . . . . 0.0 111.47 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HG2' ' HD2' ' A' ' 70' ' ' LYS . 45.8 mt-10 -80.99 117.16 21.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 0.0 111.105 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 HD11 HG12 ' A' ' 71' ' ' ILE . 23.3 pt -109.26 121.66 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.441 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 4.2 t-20 -94.06 120.46 34.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.441 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 2.5 mp -80.15 107.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 35.9 t70 -74.46 -60.89 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.194 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 23.7 p-80 -144.34 144.51 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.091 0.472 . . . . 0.0 111.001 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 26' ' ' ILE . 17.4 m -134.73 100.73 4.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.286 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.772 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.83 114.03 4.89 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.365 -175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.52 109.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.33 122.74 19.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.019 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -93.34 89.49 6.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.463 0.649 . . . . 0.0 111.417 -174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.628 ' HG3' HD12 ' A' ' 47' ' ' LEU . 6.1 pt-20 -109.85 -60.6 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.876 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.628 HD12 ' HG3' ' A' ' 46' ' ' GLU . 7.0 mp -71.11 -62.58 1.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.025 0.44 . . . . 0.0 110.157 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.19 -139.5 6.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.6 78.45 1.87 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.017 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -98.81 154.69 17.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.648 0.261 . . . . 0.0 110.466 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.01 31.96 2.0 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.788 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.3 t -73.74 -47.29 44.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.107 0.479 . . . . 0.0 110.162 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.5 -28.63 73.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.176 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HE2' ' OH ' ' A' ' 88' ' ' TYR . 12.6 tptm -64.77 -36.06 83.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.17 0.51 . . . . 0.0 110.225 -178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.13 -37.31 69.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.456 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 15' ' ' ILE . 89.3 mt -61.46 -46.92 88.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 61' ' ' VAL . 8.2 mp -59.74 -46.08 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.716 177.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.62 -39.25 83.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.61 98.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.5 -49.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.489 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.479 HG13 HG21 ' A' ' 91' ' ' VAL . 85.4 t -58.21 -40.86 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.28 -55.11 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -71.7 -25.49 62.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.561 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . . . -67.49 -54.43 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.652 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -59.73 -38.81 82.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.442 0.639 . . . . 0.0 109.602 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.71 -41.26 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.107 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.49 15.88 9.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.63 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 54.16 56.94 6.39 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.329 0.585 . . . . 0.0 111.229 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 64' ' ' ALA . 87.4 mt -96.08 139.9 31.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 96.3 mttt -87.07 114.34 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.653 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 HD11 ' A' ' 36' ' ' ILE . 41.6 mt -86.0 113.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 111.117 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' HA ' ' A' ' 37' ' ' ASN . 12.8 pt -123.09 106.75 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 173.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -97.46 118.79 34.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.25 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 m -90.18 -28.39 18.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.457 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 42.6 t -67.15 117.08 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.854 176.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -58.14 -35.96 72.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.993 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -62.76 -46.81 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.643 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.78 55.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.53 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -58.53 -46.27 87.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.605 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -72.99 -23.47 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.831 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 33.4 ttm -74.18 -41.65 61.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.18 -32.85 74.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.288 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -70.19 -23.67 63.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.87 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -73.69 -52.83 11.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.434 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -99.86 128.94 45.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.96 0.41 . . . . 0.0 110.443 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' HA ' ' OE1' ' A' ' 89' ' ' GLN . 7.4 p-10 -70.21 -9.95 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.379 -172.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 m -79.55 1.34 26.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.695 0.283 . . . . 0.0 111.682 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.548 ' OH ' ' HE2' ' A' ' 54' ' ' LYS . 66.4 m-85 -105.43 -14.49 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 86' ' ' ASP . 15.3 mp0 -70.62 -0.4 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -76.86 -47.35 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 110.224 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HG13 ' A' ' 61' ' ' VAL . 6.4 m -99.38 -26.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.224 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -82.5 129.28 34.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 70' ' ' LYS . 83.3 mt -73.97 91.72 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.236 0.541 . . . . 0.0 110.889 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.48 136.92 50.19 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.453 174.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.6 tp -100.43 -14.91 18.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 -174.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.81 87.78 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.194 0.521 . . . . 0.0 111.614 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -67.09 121.17 15.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -80.13 49.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.783 -171.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 62.98 -79.8 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.016 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 178.01 26.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -139.85 156.04 46.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.736 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.028 -0.986 . . . . 0.0 109.571 174.373 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.68 0.276 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -72.53 130.1 39.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -134.84 -28.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.596 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.37 86.42 7.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -103.83 151.33 23.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.704 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG3' ' A' ' 55' ' ' LYS . 65.7 mt -96.47 108.23 20.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.989 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.11 135.16 33.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -97.07 140.05 32.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.904 -175.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.27 -151.89 5.52 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.109 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.39 89.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.989 0.515 . . . . 0.0 111.506 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 12.5 m120 55.11 26.55 8.34 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.506 0.504 . . . . 0.0 110.921 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.7 ptpt -136.83 153.61 50.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.569 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 69.1 m-85 -122.84 117.62 26.04 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -127.76 134.19 49.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.457 0.646 . . . . 0.0 112.253 -174.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.5 125.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.94 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 22' ' ' ALA . . . -177.78 172.13 44.75 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.153 -1.022 . . . . 0.0 112.305 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.51 -26.48 55.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.626 0.727 . . . . 0.0 110.099 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.46 162.0 40.49 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.94 -33.84 72.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.109 0.481 . . . . 0.0 110.182 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -80.84 -21.77 40.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.985 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -106.24 35.61 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.413 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . . . -71.45 113.47 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.112 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.53 -5.41 54.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.945 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . . . -162.2 109.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.97 152.73 52.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.078 0.466 . . . . 0.0 111.443 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.2 tt -133.31 131.71 58.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.24 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 73.6 p -121.08 138.55 54.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 37.6 p90 -138.58 127.95 24.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.975 0.416 . . . . 0.0 110.095 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -113.28 145.93 40.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.67 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.743 ' HB3' ' HA ' ' A' ' 33' ' ' ASN . 76.4 m-85 -80.44 102.92 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.417 -176.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.6 m -85.52 -26.16 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 0.0 110.519 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 28.9 t70 -134.8 8.69 3.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.266 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.743 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 4.6 m-20 72.62 -56.06 0.66 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.76 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.04 -36.19 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 109.664 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 44.2 mt-10 -93.73 121.04 34.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 174.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 HG12 ' A' ' 71' ' ' ILE . 38.1 pt -110.67 138.97 36.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.706 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -114.4 119.03 35.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.88 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.98 101.92 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.67 -58.68 2.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.183 -168.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 81.2 t60 -127.48 141.45 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.363 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -147.76 102.64 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.83 106.52 2.18 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 86.3 t -125.5 126.59 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.551 0.215 . . . . 0.0 110.989 -174.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.475 ' HB2' ' HG2' ' A' ' 46' ' ' GLU . 4.6 p -64.96 133.46 51.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.946 0.403 . . . . 0.0 110.548 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.96 28.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.439 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' HG2' ' HB2' ' A' ' 44' ' ' SER . 25.5 mm-40 -54.02 -61.36 2.35 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 87.6 mt -83.24 -35.53 25.31 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.59 -104.66 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.571 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.06 -23.79 62.18 Favored Glycine 0 N--CA 1.452 -0.296 0 O-C-N 123.875 0.397 . . . . 0.0 112.982 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.619 ' HB2' ' HB3' ' A' ' 47' ' ' LEU . 52.9 mt-30 -64.79 -26.64 68.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.456 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.79 70.11 0.55 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.495 -0.859 . . . . 0.0 114.499 172.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' CG2' ' HB2' ' A' ' 47' ' ' LEU . 27.9 t -83.36 -45.98 18.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 169.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.55 -25.35 68.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.11 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 16.2 tppt? -58.59 -36.67 74.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.319 176.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.682 ' HG3' HD11 ' A' ' 6' ' ' ILE . 41.3 tptt -71.1 -57.32 4.63 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.383 0.611 . . . . 0.0 110.21 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.02 -47.9 84.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.47 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' HB ' ' A' ' 60' ' ' VAL . 26.1 tp -72.24 -25.08 61.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.017 -175.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 24.1 ttpp -58.4 -51.49 69.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.37 75.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.992 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' HD12 ' A' ' 57' ' ' LEU . 57.4 t -65.28 -49.47 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -42.36 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 60.6 mt-10 -61.23 -47.24 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.919 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -70.38 -31.72 69.07 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.08 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.165 175.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.48 -36.71 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.292 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 46.9 mt-10 -57.98 -39.64 78.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.187 0.518 . . . . 0.0 111.029 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.558 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 31.0 m-80 -110.78 10.86 22.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.858 -173.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 54.56 43.0 30.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.171 0.51 . . . . 0.0 110.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 79.4 mt -83.58 142.38 30.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.24 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.02 120.46 32.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 36' ' ' ILE . 36.4 mt -94.06 120.09 42.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.267 0.556 . . . . 0.0 112.009 -174.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -126.64 159.01 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.672 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 136.75 37.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.5 m -90.22 -31.28 17.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.439 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 98.5 m -75.34 123.63 25.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.059 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -57.18 -38.79 74.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.231 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.84 -47.7 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.079 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -78.9 -41.42 29.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.082 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.46 -51.3 70.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.623 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.438 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 9.8 t60 -72.6 -19.05 61.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.776 -173.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -70.47 -42.19 71.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 88' ' ' TYR . 46.5 mt -58.74 -38.51 78.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.626 177.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HG2' ' CE2' ' A' ' 92' ' ' TYR . 31.8 mt-10 -74.26 -22.4 59.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.25 -178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -80.14 -44.99 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -172.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -109.6 144.65 37.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.2 0.524 . . . . 0.0 111.816 -170.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.94 -36.42 74.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.674 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 p -57.05 -41.68 79.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.873 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 82' ' ' LEU . 20.9 m-85 -81.13 -31.14 34.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.51 -25.26 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.27 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.5 -37.35 67.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.09 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.69 11.1 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.95 0.405 . . . . 0.0 111.666 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 52.5 t80 -95.31 135.02 37.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.086 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.47 -71.32 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.155 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.97 -53.57 4.62 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.313 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.6 151.71 36.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 110.968 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -95.2 147.19 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -66.05 124.62 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -60.58 132.24 53.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.263 0.554 . . . . 0.0 111.071 -172.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 2.9 t-160 -88.53 -33.18 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.508 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 87.5 m-70 70.88 -74.26 0.09 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.81 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -94.45 -161.92 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.359 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.559 -0.734 . . . . 0.0 109.633 178.196 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.547 0.213 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -83.6 60.64 5.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.493 0.663 . . . . 0.0 110.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -101.16 1.15 38.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.989 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 15' ' ' ILE . 92.7 mt -83.16 87.09 6.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.296 -179.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.41 146.27 29.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.553 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.52 HG12 HD11 ' A' ' 15' ' ' ILE . 58.4 mt -76.5 106.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.917 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -86.38 116.98 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.106 0.479 . . . . 0.0 110.61 -177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.625 ' HG2' ' HE1' ' A' ' 13' ' ' PHE . 27.8 mt-30 -73.15 121.39 20.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.728 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.0 -161.23 11.48 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.762 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pm0 -69.7 95.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 0.0 110.752 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.18 23.39 12.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.364 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HB3' HG22 ' A' ' 27' ' ' THR . 19.4 ptpt -140.21 160.45 39.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.345 0.593 . . . . 0.0 112.145 -173.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.625 ' HE1' ' HG2' ' A' ' 8' ' ' GLN . 36.0 m-85 -122.68 114.5 20.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.407 168.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.73 150.02 50.46 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.641 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 4' ' ' LEU . 47.6 mt -142.39 149.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.031 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.78 -178.65 39.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.79 175.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.19 -28.43 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 109.424 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -156.25 168.1 28.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.532 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.64 -28.5 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.231 0.539 . . . . 0.0 110.095 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.67 -34.72 67.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.384 0.611 . . . . 0.0 110.127 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -107.93 44.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.202 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 116.78 6.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.513 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 44' ' ' SER . 95.8 mt -88.25 -4.12 58.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.54 0.686 . . . . 0.0 109.717 176.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.52 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -140.47 125.7 18.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.073 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -154.98 114.59 3.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 13.8 tt -144.15 134.97 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.687 0.279 . . . . 0.0 110.945 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.522 HG22 ' HB3' ' A' ' 12' ' ' LYS . 39.7 p -123.09 139.51 54.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 16.2 p90 -125.12 100.16 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.367 0.603 . . . . 0.0 110.571 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -95.76 136.35 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -175.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -75.75 121.04 21.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.923 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 72' ' ' ILE . 15.6 m -103.11 -49.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.666 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 12.4 t70 -110.08 -82.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.439 -175.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -137.44 -46.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.732 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -130.07 0.43 4.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.388 0.613 . . . . 0.0 110.02 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 32.1 mp0 -81.28 107.55 14.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.325 -176.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 13.9 pt -90.27 110.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.478 0.656 . . . . 0.0 109.82 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HA ' HG13 ' A' ' 72' ' ' ILE . 34.2 t30 -87.28 112.25 21.86 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.478 -177.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.99 100.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 109.42 173.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 9.7 t70 -84.48 -58.6 2.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.467 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 14.0 t60 -108.99 133.87 52.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.376 -174.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 75' ' ' CYS . 30.1 m -143.64 104.47 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.455 . . . . 0.0 110.442 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.16 106.1 1.09 Allowed Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.654 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.18 154.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 p -52.1 122.25 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.442 0.639 . . . . 0.0 111.67 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -98.84 10.95 40.2 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' OE1' ' HG ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -51.21 -66.05 0.45 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.998 178.068 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' OE1' ' A' ' 46' ' ' GLU . 72.8 mt -131.18 18.68 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.88 174.41 21.44 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.115 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.6 54.55 4.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.183 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -65.28 103.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.36 0.264 . . . . 0.0 111.228 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.8 -44.15 2.26 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.221 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.5 t -57.15 -46.88 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 122.516 0.326 . . . . 0.0 111.486 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.94 97.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.228 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.72 -46.34 82.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.75 0.309 . . . . 0.0 110.44 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 4' ' ' LEU . 64.9 tttp -58.49 -42.61 87.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.99 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD11 ' HB1' ' A' ' 24' ' ' ALA . 95.8 mt -67.18 -54.28 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.983 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.51 HD11 HD21 ' A' ' 82' ' ' LEU . 24.0 tp -65.73 -41.78 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.145 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -61.91 -38.78 89.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.682 0.277 . . . . 0.0 110.518 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.87 99.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.49 -49.55 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.59 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.496 HG13 HG11 ' A' ' 91' ' ' VAL . 99.3 t -58.41 -37.96 66.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.159 0.504 . . . . 0.0 111.017 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.23 -55.03 38.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -71.66 -27.48 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.725 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.82 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.11 -35.49 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.657 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.68 -45.2 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.05 8.24 40.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.452 -176.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 59.2 39.19 23.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.772 0.796 . . . . 0.0 110.344 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.15 157.76 21.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.429 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HD2' HD11 ' A' ' 93' ' ' LEU . 72.1 mmtt -113.46 135.36 53.96 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.96 125.87 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 112.062 -172.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 31' ' ' VAL . 31.5 pt -130.53 161.5 40.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.622 171.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.61 137.61 42.09 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.737 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -104.82 -16.97 14.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.439 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 41' ' ' THR . 50.6 t -76.57 127.92 33.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.885 175.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -62.42 -41.21 98.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.33 -53.03 61.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.757 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.72 96.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.9 ttmt -59.23 -50.64 73.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -68.98 -26.29 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.728 0.299 . . . . 0.0 111.12 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.5 ttp -72.06 -37.62 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.961 0.41 . . . . 0.0 109.977 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 57' ' ' LEU . 79.4 mt -69.51 -39.87 77.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.671 175.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 43.8 mt-10 -68.34 -28.28 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -64.28 -60.61 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.137 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 5.0 tp10 -84.81 134.19 34.31 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.56 -172.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' HA ' HE21 ' A' ' 89' ' ' GLN . 17.6 t70 -60.49 -37.52 81.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.816 -173.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -68.07 -28.15 67.12 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 23.8 m-85 -76.86 -13.07 60.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.521 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' A' ' 86' ' ' ASP . 42.2 mt-30 -77.63 1.48 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.926 0.393 . . . . 0.0 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.12 -49.1 11.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 110.152 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 HG13 ' A' ' 61' ' ' VAL . 23.1 m -83.9 -20.18 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.106 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -91.34 110.34 21.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.146 0.498 . . . . 0.0 109.803 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.52 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 6.2 mp -71.13 -42.61 68.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.153 -176.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.52 21.22 78.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.399 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 93' ' ' LEU . 93.4 mt -80.64 67.38 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.438 0.637 . . . . 0.0 110.24 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.29 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.596 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -101.75 140.97 35.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.18 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -80.75 130.92 35.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -78.91 -76.05 0.21 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.826 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -83.28 121.98 27.83 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -154.41 178.42 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.792 0.33 . . . . 0.0 110.348 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.575 178.75 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -81.74 110.48 17.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.99 0.424 . . . . 0.0 110.21 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -78.67 99.0 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.657 0.742 . . . . 0.0 110.556 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.2 mt -84.64 72.1 10.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.521 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -102.84 129.79 49.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.709 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.662 HD11 ' HG2' ' A' ' 55' ' ' LYS . 64.7 mt -62.07 113.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.948 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 7' ' ' LYS . 1.2 mmpm? -89.43 112.73 23.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -86.45 120.09 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.501 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.17 173.14 14.56 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -61.02 101.52 0.15 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.634 0.217 . . . . 0.0 110.918 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 m-20 65.68 20.31 11.53 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.545 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HG22 ' A' ' 27' ' ' THR . 52.0 pttt -143.36 117.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.146 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -101.25 111.59 23.85 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -125.81 147.16 49.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.962 0.411 . . . . 0.0 110.625 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.685 HD12 HG13 ' A' ' 52' ' ' VAL . 50.9 mt -125.77 121.78 60.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.423 0.63 . . . . 0.0 110.308 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.35 -176.42 42.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.726 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.44 -25.65 25.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.06 0.43 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.468 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 12.8 t70 -142.33 145.06 33.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.46 -32.06 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.706 0.288 . . . . 0.0 110.994 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -67.04 -34.84 78.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 18' ' ' ASP . 5.0 p30 -123.52 45.23 2.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.374 0.607 . . . . 0.0 110.734 -176.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.48 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.464 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.61 -26.86 41.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.054 0.454 . . . . 0.0 110.525 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -154.68 130.46 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.293 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.54 144.27 34.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 111.101 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 60' ' ' VAL . 10.5 tt -131.31 125.58 57.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.876 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 12' ' ' LYS . 16.2 p -115.26 139.13 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.99 0.424 . . . . 0.0 111.777 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 36' ' ' ILE . 37.2 p90 -124.47 125.53 44.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.154 178.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' A' ' 39' ' ' ASP . 34.8 mtm180 -109.4 132.33 54.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.935 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -78.3 100.29 6.66 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.01 -40.85 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.53 -84.18 0.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.591 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.22 -90.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.331 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -107.73 18.16 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 108.536 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.795 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 38.2 mt-10 -89.5 116.1 27.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.622 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 28' ' ' TYR . 22.9 pt -102.9 123.93 56.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.586 -173.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 t-20 -93.81 111.84 23.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.16 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 27' ' ' THR . 70.2 mt -74.72 95.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 171.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 32.3 t70 -85.48 -29.63 24.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.71 -171.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 78.1 t60 -142.61 134.26 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.442 0.639 . . . . 0.0 111.485 -178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 25.6 m -144.9 105.04 4.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.889 171.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.52 138.24 13.16 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.114 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.94 121.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 m -63.35 127.13 29.88 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -94.88 60.58 2.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.646 0.736 . . . . 0.0 111.631 -171.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -115.25 36.64 3.83 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tt 68.06 77.89 0.24 Allowed 'General case' 0 C--O 1.23 0.066 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.98 60.79 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.219 -0.9 . . . . 0.0 113.715 -173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' HA3' HG23 ' A' ' 52' ' ' VAL . . . 75.92 -11.95 9.98 Favored Glycine 0 CA--C 1.518 0.274 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.913 172.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 69.75 -74.08 0.09 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.082 0.553 . . . . 0.0 111.432 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.46 -4.58 87.38 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.987 -175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.685 HG13 HD12 ' A' ' 15' ' ' ILE . 69.9 t -56.51 -59.72 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.563 0.221 . . . . 0.0 111.463 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.57 -38.6 96.65 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.359 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.81 -41.9 97.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.662 ' HG2' HD11 ' A' ' 6' ' ' ILE . 38.7 ttpt -71.35 -33.99 70.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.4 mt -62.25 -52.36 64.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.986 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.44 -38.33 86.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.894 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -56.9 -46.15 82.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.185 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.92 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.437 HG21 HD13 ' A' ' 26' ' ' ILE . 68.6 t -61.94 -52.2 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.85 -40.18 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.5 -47.09 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.908 0.385 . . . . 0.0 110.402 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -66.77 -30.36 70.56 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.098 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -65.56 -50.53 64.83 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.41 175.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -61.53 -38.57 87.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.644 0.259 . . . . 0.0 110.416 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.61 -45.51 66.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.573 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.58 6.54 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.506 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 52.82 65.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.69 0.757 . . . . 0.0 110.117 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 64' ' ' ALA . 91.3 mt -94.87 150.98 19.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.051 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.795 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 50.2 mtpt -101.94 115.75 31.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.06 131.87 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.0 111.996 -173.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 20.4 pt -134.37 144.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.026 170.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.62 142.4 50.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.288 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.726 ' OG ' ' HA ' ' A' ' 39' ' ' ASP . 16.4 p -103.86 -38.23 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 11.8 m -62.93 119.54 9.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.219 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -57.27 -42.14 81.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.602 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.536 ' O ' ' HG3' ' A' ' 81' ' ' MET . 83.7 t80 -57.58 -56.53 20.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.789 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 41' ' ' THR . . . -66.45 -35.19 79.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -57.66 -50.34 73.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.812 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 80.5 m-70 -71.17 -15.64 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -177.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 93.3 mtp -72.36 -44.44 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 175.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.93 -39.58 61.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.339 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 40.5 tt0 -64.35 -28.9 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -71.02 -43.68 67.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.392 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -92.03 127.84 37.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.301 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.42 ' HA ' HE21 ' A' ' 89' ' ' GLN . 3.9 p30 -59.9 -38.28 81.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.479 -175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 t -71.19 -24.94 62.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.831 0.348 . . . . 0.0 111.61 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -84.93 -14.61 47.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.685 0.279 . . . . 0.0 111.082 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.42 HE21 ' HA ' ' A' ' 86' ' ' ASP . 49.2 mt-30 -84.65 3.21 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -174.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.85 -41.12 16.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.7 m -89.4 -26.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.67 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -82.99 139.33 33.36 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 70' ' ' LYS . 10.3 mp -81.93 76.96 8.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.259 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.02 -143.49 14.98 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.82 41.52 17.96 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.547 0.689 . . . . 0.0 109.383 -175.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -72.8 -2.91 22.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.369 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.16 91.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 165.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -70.23 104.72 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.687 -168.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -75.08 -15.63 60.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.933 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.1 m80 67.15 52.85 0.83 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -165.41 -47.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.39 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.613 -1.184 . . . . 0.0 108.605 -167.045 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m 69.71 -72.66 0.1 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.167 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -118.46 -35.15 3.83 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.913 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -103.81 90.72 3.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.952 -174.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.93 -177.71 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.091 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -86.36 95.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.07 156.84 26.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.42 146.73 37.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.481 0.658 . . . . 0.0 111.744 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.24 -174.1 13.22 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -69.88 105.33 2.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.242 0.521 . . . . 0.0 110.659 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' A' ' 11' ' ' ASN . 6.3 m120 63.1 30.19 16.16 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.683 0.614 . . . . 0.0 111.375 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 27' ' ' THR . 56.4 pttt -159.25 165.27 33.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 112.04 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -131.01 149.38 52.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 32.9 p90 -151.22 142.63 23.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.245 0.545 . . . . 0.0 111.229 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.781 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 55.5 mt -110.95 123.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.266 174.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.76 173.86 36.21 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.95 -48.66 73.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.7 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.08 -175.38 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.591 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 171.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -67.78 -18.28 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.833 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -132.1 60.04 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.85 92.85 8.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.55 -13.86 50.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 0.0 110.32 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.781 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -132.3 97.9 4.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.771 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -113.83 135.59 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.897 -173.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 56' ' ' LEU . 14.5 tt -151.4 127.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.962 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 12' ' ' LYS . 21.6 p -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.477 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 36.3 p90 -146.71 138.1 24.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 29' ' ' ARG . 19.2 ttt180 -142.24 149.72 39.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.009 -177.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -76.45 118.96 19.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.67 -41.06 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -161.52 98.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 t30 67.65 -76.2 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.879 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.591 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 22.2 t-20 -116.67 -23.46 8.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 111.38 -172.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 23.0 mp0 -75.69 121.48 22.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.3 pt -112.29 128.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.894 175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.626 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.7 p-10 -101.46 135.95 42.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.912 0.387 . . . . 0.0 110.504 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.5 mp -83.36 109.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 13.5 t70 -68.53 -57.81 5.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.249 -171.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -151.48 151.16 31.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.421 . . . . 0.0 111.01 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -116.1 110.74 19.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.919 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.96 81.31 0.3 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.341 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -93.24 125.54 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.9 p -67.06 150.33 49.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 0.0 111.084 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.96 -16.98 48.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.689 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.27 -22.03 25.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.622 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 tp -143.17 70.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.315 0.579 . . . . 0.0 111.104 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.8 -77.9 1.32 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.54 -100.38 0.67 Allowed Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.874 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 3.1 pm0 -93.18 -171.07 2.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.54 60.25 3.67 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.594 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.11 -39.09 82.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.078 0.466 . . . . 0.0 109.953 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.66 87.83 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG3' ' OH ' ' A' ' 88' ' ' TYR . 87.5 tttt -67.78 -36.58 80.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.304 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -74.0 -30.08 62.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.73 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.669 HD11 ' HB1' ' A' ' 24' ' ' ALA . 59.6 mt -64.68 -50.85 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.156 0.503 . . . . 0.0 109.787 171.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.513 HD22 ' HE2' ' A' ' 81' ' ' MET . 38.5 tp -64.34 -31.89 73.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.342 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -54.74 -48.56 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.28 98.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.83 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.34 -47.56 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.575 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 88' ' ' TYR . 64.5 t -62.48 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.459 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.02 -42.95 89.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 66' ' ' GLU . 69.6 t60 -72.89 -24.85 60.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.096 0.474 . . . . 0.0 110.462 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.23 53.26 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 175.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.71 -42.43 93.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 63' ' ' HIS . 24.2 tt0 -50.08 -47.91 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.632 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -107.23 7.25 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.907 -174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.55 61.7 2.57 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.329 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -107.2 158.05 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 35' ' ' GLU . 30.2 mmtp -92.4 116.59 29.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.929 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 91' ' ' VAL . 20.8 mt -92.19 112.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.298 178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 5.3 pt -125.97 119.18 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.085 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.31 122.97 35.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.086 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.2 m -74.78 -37.46 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.511 . . . . 0.0 109.665 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.9 p -79.22 131.69 36.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.585 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 p -67.58 -29.62 69.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.028 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.44 -48.58 80.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.998 0.428 . . . . 0.0 110.627 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.44 85.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 36.0 ttmt -64.38 -38.88 92.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.63 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.482 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.513 ' HE2' HD22 ' A' ' 57' ' ' LEU . 35.0 ttp -73.69 -31.29 63.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.577 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 HD21 ' A' ' 57' ' ' LEU . 81.3 mt -66.76 -36.83 83.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.753 174.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.3 mt-10 -82.12 -16.28 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.635 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -39.64 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.898 -173.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.77 169.61 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.981 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.19 -24.4 27.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.249 -169.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 t -66.41 -4.36 8.01 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.142 -175.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 54' ' ' LYS . 35.3 m-85 -96.78 -7.39 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.278 -0.264 . . . . 0.0 111.599 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.497 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.2 tt0 -69.48 -15.32 63.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.75 -177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -35.41 72.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 177.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.609 HG21 HD12 ' A' ' 71' ' ' ILE . 18.9 m -118.91 4.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.234 0.54 . . . . 0.0 111.153 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 52.0 t80 -104.57 139.49 39.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.496 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.07 -41.06 91.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.28 -149.49 27.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.201 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.77 125.31 44.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -72.22 74.56 0.97 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.421 . . . . 0.0 110.619 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -145.83 -69.89 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.884 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -80.25 68.59 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 111.253 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -147.85 11.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.347 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.0 m170 56.08 -103.23 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.369 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -148.47 27.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.456 -179.234 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.623 0.249 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.519 ' OG ' ' HB3' ' A' ' 5' ' ' GLU . 15.0 t -78.99 105.19 10.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -107.08 102.96 12.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.311 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' HB3' ' HE3' ' A' ' 55' ' ' LYS . 89.9 mt 59.03 26.04 14.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.519 ' HB3' ' OG ' ' A' ' 2' ' ' SER . 5.6 tp10 -86.62 143.19 27.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.17 0.51 . . . . 0.0 111.244 -176.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.412 HG12 ' CG1' ' A' ' 15' ' ' ILE . 47.7 mt -92.16 108.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.445 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -91.87 146.11 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.888 0.375 . . . . 0.0 110.158 177.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.73 128.88 47.85 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.385 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.02 -164.77 12.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 173.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.78 99.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.261 0.531 . . . . 0.0 110.776 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m120 60.36 16.8 6.56 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.374 0.421 . . . . 0.0 111.847 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.531 ' HB3' HG22 ' A' ' 27' ' ' THR . 7.5 ptpp? -129.19 139.37 51.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.959 0.409 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.27 114.86 27.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -121.32 127.79 51.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.667 0.746 . . . . 0.0 111.309 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.661 HD12 HG13 ' A' ' 52' ' ' VAL . 49.9 mt -93.11 128.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.689 175.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.17 -146.08 13.07 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.16 -35.8 0.93 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.193 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.462 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 19.4 t70 -122.77 168.58 12.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.78 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.036 0.446 . . . . 0.0 109.838 176.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.24 -33.2 24.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.436 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 93.6 m-20 -88.52 37.04 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.534 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.32 109.48 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.618 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.06 -21.39 29.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.247 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.705 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.2 106.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.46 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.26 0.552 . . . . 0.0 110.346 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 17.3 tt -122.27 124.88 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.788 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 12' ' ' LYS . 40.5 p -108.32 139.87 42.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 34.9 p90 -129.35 127.31 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.2 tpt180 -114.55 168.12 10.14 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.23 111.06 23.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.662 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -87.25 -23.01 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.77 0.795 . . . . 0.0 108.883 171.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.699 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 20.4 t70 -140.36 164.7 29.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.094 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.96 -24.85 67.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.682 0.277 . . . . 0.0 110.947 -176.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 14.6 m120 -127.31 17.79 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.542 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.5 mt-10 -135.38 122.18 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 pt -112.07 150.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.571 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.8 p-10 -121.75 139.27 53.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.994 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -87.07 105.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -70.03 -65.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.657 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.606 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 65.9 t60 -127.67 130.85 49.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.354 -173.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 m -121.7 97.69 5.61 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.465 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.705 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -106.95 98.88 1.36 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.221 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.522 HG22 ' HB1' ' A' ' 24' ' ' ALA . 28.2 t -116.64 124.58 72.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -69.54 124.33 23.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 110.038 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.17 35.46 0.99 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -174.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.43 -32.85 58.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.34 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.51 5.6 51.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -178.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.07 35.19 91.67 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.864 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.91 119.25 4.59 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.561 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HG2' ' HB ' ' A' ' 52' ' ' VAL . 1.3 pm0 -137.57 170.13 16.6 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -68.57 -14.98 67.93 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.023 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 15' ' ' ILE . 53.6 t -49.19 -37.44 10.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 122.96 0.504 . . . . 0.0 111.785 178.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.41 91.03 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.801 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -76.4 -25.57 54.68 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.656 -0.32 . . . . 0.0 111.037 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 4' ' ' LEU . 6.6 mtpm? -58.55 -46.19 87.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 15' ' ' ILE . 97.5 mt -60.98 -49.25 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.838 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.1 -44.1 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.623 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -57.37 -42.87 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 110.435 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.71 88.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.83 -48.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.427 ' HA ' HD11 ' A' ' 71' ' ' ILE . 98.3 t -62.54 -38.93 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.35 -48.36 80.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.199 0.523 . . . . 0.0 109.979 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -69.02 -26.61 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -54.26 19.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -62.41 -35.19 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 109.829 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -53.35 -47.69 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.957 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -106.2 9.13 32.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.417 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 59.36 69.9 0.68 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.54 0.686 . . . . 0.0 110.158 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 64.3 mt -121.35 139.5 53.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.533 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.907 ' HD3' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -85.87 145.53 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 174.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 61' ' ' VAL . 68.3 mt -113.78 120.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.321 0.582 . . . . 0.0 112.373 -174.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 25.0 pt -127.23 149.66 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.063 168.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.81 135.28 50.81 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.124 -0.36 . . . . 0.0 111.221 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -85.08 -42.83 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.412 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 87.0 m -63.59 125.17 23.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -59.17 -38.13 79.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.371 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.61 -40.43 94.79 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.033 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.26 -41.95 16.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -58.79 -49.93 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.542 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -16.3 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.12 -40.03 71.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -77.38 -23.85 50.67 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.83 0.347 . . . . 0.0 110.597 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -63.17 -39.74 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.518 . . . . 0.0 109.803 173.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -79.26 -48.9 13.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.59 97.37 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.61 -19.26 65.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.456 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.6 m -66.08 -23.47 66.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.8 8.5 41.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.56 ' HA ' HE21 ' A' ' 89' ' ' GLN . 0.0 OUTLIER -65.92 -25.09 66.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 110.572 -178.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -48.32 73.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.472 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 m -85.14 -21.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.59 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -78.59 141.99 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.182 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.38 99.06 9.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.231 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.37 150.7 35.45 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.89 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.0 -23.92 38.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.371 . . . . 0.0 110.426 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 1.2 pm0 -90.85 141.63 28.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.528 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -79.28 116.93 19.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.43 -7.56 58.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.431 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.5 m170 70.17 3.31 4.34 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.221 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -177.56 109.39 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -89.61 66.17 7.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.952 0.406 . . . . 0.0 110.381 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.194 178.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 1' ' ' MET . 25.5 ttt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.559 0.219 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 63.69 105.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.473 0.654 . . . . 0.0 112.019 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 15' ' ' ILE . 39.4 m-80 -77.51 111.81 13.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.63 -16.28 34.91 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -87.89 141.24 28.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.636 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.19 109.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -79.44 115.8 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.842 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -90.86 122.82 33.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.73 -165.6 11.8 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.059 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.2 mp0 -60.22 95.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.704 0.402 . . . . 0.0 110.762 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 57.12 23.08 8.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.845 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HB3' HG22 ' A' ' 27' ' ' THR . 25.2 pttm -142.64 144.4 32.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.295 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -113.74 128.36 56.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -142.12 156.13 45.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.704 -175.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD21 ' A' ' 56' ' ' LEU . 57.6 mt -129.8 128.16 64.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.621 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.93 -170.31 42.07 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.683 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.92 -30.01 21.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.142 0.496 . . . . 0.0 110.279 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -160.97 161.05 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -15.36 63.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.421 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -73.44 -15.7 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 110.536 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -161.88 78.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.254 0.549 . . . . 0.0 110.015 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.53 149.99 28.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.106 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.88 -24.47 38.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HG22 ' A' ' 43' ' ' VAL . . . -163.07 126.81 2.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.225 177.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -128.59 127.34 42.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.289 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.92 125.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 12' ' ' LYS . 59.0 p -109.29 137.46 47.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.707 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.15 147.21 45.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG3' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -154.05 150.29 28.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -82.67 121.02 26.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.502 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 8.0 m -85.79 -41.93 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.636 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . 22.7 m-20 -144.73 -83.4 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' C ' HD22 ' A' ' 33' ' ' ASN . 0.2 OUTLIER -105.39 -80.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.529 -171.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.85 4.6 14.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.434 0.635 . . . . 0.0 109.467 -177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 4.3 mp0 -89.82 117.53 28.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.415 -173.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.35 124.71 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.738 174.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' HG13 ' A' ' 72' ' ' ILE . 2.3 p-10 -102.37 135.14 44.51 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.335 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.22 96.56 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 23.2 t70 -53.78 -57.9 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.308 -174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 75' ' ' CYS . 37.8 p-80 -150.45 146.26 26.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.855 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.53 HG22 HG23 ' A' ' 43' ' ' VAL . 3.1 m -112.98 85.61 2.21 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -76.97 82.8 1.08 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.023 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' THR . 61.0 t -109.25 132.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 t -89.41 134.94 33.86 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -97.46 14.56 25.97 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.471 -174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.514 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -162.71 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.674 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.13 178.26 26.77 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.386 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' H ' ' HB ' ' A' ' 52' ' ' VAL . . . 94.33 -47.54 2.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.383 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.88 -64.79 0.7 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 111.654 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.62 -29.56 4.66 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.78 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.504 HG13 HD12 ' A' ' 15' ' ' ILE . 48.5 t -65.07 -37.32 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.772 -0.214 . . . . 0.0 111.398 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.37 43.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.561 -176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.81 -23.09 61.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.313 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -65.4 -51.85 57.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.094 0.474 . . . . 0.0 110.265 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 15' ' ' ILE . 97.3 mt -66.6 -38.63 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.202 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 61' ' ' VAL . 56.9 tp -63.07 -42.32 99.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.559 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -57.36 -47.14 82.41 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.861 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.01 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.57 -44.32 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.395 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.0 t -62.95 -40.6 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.74 -45.05 95.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.652 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -65.67 -37.18 85.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.312 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.95 77.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.687 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HA ' HG11 ' A' ' 91' ' ' VAL . 45.7 ttp85 -60.93 -44.7 96.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 0.0 110.416 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.35 -46.41 86.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.697 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.14 3.24 55.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.512 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 58.73 70.37 0.66 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.841 0.829 . . . . 0.0 110.339 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -121.56 174.64 6.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.91 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.801 ' HD3' HD21 ' A' ' 93' ' ' LEU . 55.9 mttp -124.05 130.05 51.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 61' ' ' VAL . 59.0 mt -95.55 127.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.954 -176.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 37' ' ' ASN . 11.9 pt -120.39 132.51 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.722 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.08 115.61 27.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.388 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 m -88.67 -25.48 22.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 40' ' ' HIS . 47.5 t -91.67 139.23 30.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.554 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 m -68.01 -31.03 70.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.311 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -64.67 -51.01 64.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.915 0.388 . . . . 0.0 110.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.71 84.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.68 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -56.51 -51.43 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.689 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -69.02 -16.05 63.62 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mtm -84.91 -49.49 8.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.062 0.458 . . . . 0.0 110.252 175.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 57' ' ' LEU . 90.3 mt -73.53 -39.24 64.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.722 -175.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -67.38 -29.65 69.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.927 0.394 . . . . 0.0 111.627 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -97.94 -32.98 11.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.46 124.62 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.293 0.568 . . . . 0.0 110.997 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.19 -16.11 61.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.607 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -63.51 -29.61 70.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.41 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -106.12 -8.39 17.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.684 0.278 . . . . 0.0 111.431 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HG2' ' HD2' ' A' ' 92' ' ' TYR . 36.3 mt-30 -82.48 74.97 9.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.535 0.683 . . . . 0.0 112.235 -174.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -141.9 -45.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.173 170.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG11 ' HA ' ' A' ' 65' ' ' ARG . 29.6 m -97.02 4.9 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.161 174.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.514 ' HD2' ' HG2' ' A' ' 89' ' ' GLN . 59.9 t80 -102.03 138.5 38.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.913 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.801 HD21 ' HD3' ' A' ' 70' ' ' LYS . 86.8 mt -82.27 88.58 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.215 0.531 . . . . 0.0 110.942 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.94 -99.93 0.16 Allowed Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mp 57.38 67.81 0.93 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 122.702 0.401 . . . . 0.0 111.291 174.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.27 94.62 7.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.071 0.463 . . . . 0.0 109.8 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.06 99.94 11.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 172.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.69 125.88 28.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.292 -169.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -101.83 168.68 9.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.723 174.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -77.46 83.38 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.408 0.623 . . . . 0.0 111.198 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -129.06 -64.99 0.89 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.647 177.163 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptm . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 121.018 0.437 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.537 ' HB3' ' HA ' ' A' ' 17' ' ' ASP . 9.0 t -166.94 -171.22 1.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -92.43 135.87 33.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.329 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 29.0 tp -79.39 11.43 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.59 0.709 . . . . 0.0 110.311 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -84.98 155.3 21.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 66.3 mt -70.62 115.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.177 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -93.2 125.02 37.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.56 176.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -81.66 145.53 30.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.385 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.4 -166.78 13.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.512 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -64.94 99.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.76 0.28 . . . . 0.0 111.223 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 61.56 21.88 12.45 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.293 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 27' ' ' THR . 20.4 ptmt -145.87 150.93 37.05 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.173 0.511 . . . . 0.0 111.393 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 51.6 m-85 -122.59 119.09 29.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 171.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 33.8 p90 -128.76 131.78 47.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.681 0.753 . . . . 0.0 111.843 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 56' ' ' LEU . 71.8 mt -99.73 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.547 171.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.57 135.47 7.87 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 119.988 -1.101 . . . . 0.0 112.849 -176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 32.9 t70 -69.49 -32.13 70.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.993 0.901 . . . . 0.0 108.583 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 19.2 t70 -138.88 157.6 45.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.385 -1.279 . . . . 0.0 107.568 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.63 -20.38 58.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.232 0.469 . . . . 0.0 111.557 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -87.59 -21.35 25.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.307 0.575 . . . . 0.0 109.701 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 9.2 m120 -115.05 46.25 1.47 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.169 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.52 100.47 0.67 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.528 175.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.15 -55.86 28.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -127.04 112.2 14.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 12.7 pt-20 -125.92 134.9 51.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.52 HD13 HG21 ' A' ' 60' ' ' VAL . 17.0 tt -121.88 132.72 70.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.215 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 12' ' ' LYS . 68.7 p -118.38 141.12 48.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.613 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -143.93 149.38 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.5 ttt-85 -126.59 153.99 44.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.205 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -89.0 102.81 15.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.737 174.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -75.08 -31.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -143.1 168.25 20.17 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -80.84 57.11 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.754 0.311 . . . . 0.0 110.223 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.85 -24.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 57.8 mt-10 -112.55 132.66 55.0 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.959 0.409 . . . . 0.0 110.608 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.5 142.13 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.303 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 21.7 p-10 -114.43 138.26 50.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 0.0 110.445 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 107.65 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.34 -44.0 59.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.614 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.651 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 72.1 t60 -159.34 146.34 16.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.157 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 m -139.32 100.64 4.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.035 0.445 . . . . 0.0 110.02 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.34 95.97 1.15 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.495 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.81 98.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.943 0.402 . . . . 0.0 110.725 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 t -88.42 142.44 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -121.28 108.64 13.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.579 0.704 . . . . 0.0 111.393 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.11 2.07 14.79 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.853 174.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -101.58 -37.66 8.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.635 -172.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.5 0.87 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.688 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.29 96.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.434 -0.413 . . . . 0.0 113.027 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -84.9 3.87 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.267 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . 98.97 45.28 2.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.294 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.9 t -75.07 -46.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.363 0.601 . . . . 0.0 109.853 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.23 -26.25 71.51 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.969 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.54 -37.22 82.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.543 0.211 . . . . 0.0 110.508 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' O ' HD11 ' A' ' 6' ' ' ILE . 7.5 mtpm? -60.22 -47.05 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 15' ' ' ILE . 84.4 mt -57.15 -60.83 3.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.655 178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.04 -33.03 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.573 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 26.1 ttpp -56.94 -57.15 13.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.496 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.05 82.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 26' ' ' ILE . 93.7 t -63.01 -46.4 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.255 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 88' ' ' TYR . 81.9 t -67.51 -39.06 81.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.725 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 47.2 mt-10 -59.03 -45.92 89.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.59 -32.22 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.87 82.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.16 -33.29 75.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.67 -51.77 52.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.268 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.586 ' HB3' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -93.99 4.78 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.78 -172.021 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 59.97 40.63 18.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.75 0.786 . . . . 0.0 110.135 -178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.586 ' HG ' ' HB3' ' A' ' 67' ' ' ASN . 79.8 mt -84.45 136.29 33.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.552 -178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 93' ' ' LEU . 48.5 mtmt -90.85 121.99 33.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.57 175.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.3 mt -91.83 114.75 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.877 -173.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 32.8 pt -115.03 160.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.78 137.29 51.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.265 -0.574 . . . . 0.0 112.052 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -91.8 -51.87 5.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 51.4 m -69.05 121.89 17.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 t -62.09 -28.74 69.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.126 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -58.32 -56.17 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.456 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.41 74.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.974 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.15 -35.45 80.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.065 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -68.99 -35.2 76.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.72 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.5 mtp -67.78 -45.92 73.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.57 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -85.62 -31.11 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.885 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.89 -49.43 70.52 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.991 -173.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -107.41 153.31 22.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.143 0.497 . . . . 0.0 110.956 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.03 -7.74 59.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.893 -170.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 p -66.96 -51.88 49.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.444 -174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.433 ' CD1' HG21 ' A' ' 61' ' ' VAL . 14.6 m-85 -92.24 -7.81 47.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -174.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.2 tt0 -70.5 -15.95 62.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.509 -175.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.42 -55.11 37.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.888 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.7 m -102.51 13.73 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.482 . . . . 0.0 111.172 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 21.7 t80 -84.39 127.23 33.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HD2' ' A' ' 70' ' ' LYS . 74.8 mt -104.35 97.48 7.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.527 177.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.75 -49.95 0.66 Allowed Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.0 mp -128.47 166.13 19.36 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -103.71 -163.03 0.95 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 177.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.51 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 21.7 t60 -63.14 93.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 169.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -67.11 -25.56 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.182 -166.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -74.8 101.78 4.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -67.33 154.32 41.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.107 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 67.95 94.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.834 0.709 . . . . 0.0 109.631 -175.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 p80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.763 -174.307 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.731 0.301 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -77.97 160.37 28.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.66 12.84 28.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.588 -172.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt 61.71 57.5 2.21 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -172.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.63 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 37.1 mp0 -60.47 132.6 54.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.885 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.689 HD11 ' HG2' ' A' ' 55' ' ' LYS . 63.4 mt -75.39 108.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.118 173.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' A' ' 5' ' ' GLU . 32.3 mmtp -86.48 132.66 33.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.401 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.72 139.82 56.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.61 29.9 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.67 94.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.115 0.483 . . . . 0.0 110.237 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.468 HD22 ' NH2' ' A' ' 29' ' ' ARG . 74.4 m-20 60.89 22.87 12.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.344 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.75 127.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.477 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -98.96 137.64 37.22 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -139.78 130.55 25.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.366 0.603 . . . . 0.0 111.704 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.704 HG13 HD21 ' A' ' 56' ' ' LEU . 63.4 mt -92.33 112.56 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.487 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.65 162.87 26.27 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -82.15 -16.14 50.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.15 0.5 . . . . 0.0 110.398 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -158.47 163.11 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.21 -26.39 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 118.087 0.403 . . . . 0.0 110.61 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -78.49 -7.6 57.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.541 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -127.12 25.23 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.277 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.41 99.64 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.887 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.53 -15.05 56.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.556 -176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -153.7 104.55 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -117.03 139.39 50.75 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.595 176.028 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -129.95 131.09 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.38 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.685 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 25.4 p -100.63 139.72 35.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -132.53 55.5 1.88 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.854 0.835 . . . . 0.0 108.804 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' NH2' HD22 ' A' ' 11' ' ' ASN . 3.7 mtp85 -77.11 154.93 32.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.203 -169.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 68.6 m-85 -83.43 112.05 19.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.922 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -83.68 -17.19 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.48 0.657 . . . . 0.0 109.233 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.604 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 6.6 t70 -150.46 -160.48 1.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.211 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -75.61 -41.64 53.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.933 0.333 . . . . 0.0 111.785 -174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -110.17 -25.95 9.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.738 0.78 . . . . 0.0 110.049 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 38.7 mp0 -84.42 102.69 12.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.242 -172.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG12 ' A' ' 71' ' ' ILE . 35.6 pt -97.42 143.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.435 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -128.21 139.36 52.5 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.518 -177.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.685 ' HA ' ' O ' ' A' ' 27' ' ' THR . 4.1 mp -87.6 91.02 3.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.647 171.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.989 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 11.1 p-10 -89.61 -10.22 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.13 -174.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 66.1 t60 -147.22 135.56 21.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.42 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 m -136.27 92.92 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -102.93 62.8 0.45 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.618 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' HB1' ' A' ' 24' ' ' ALA . 98.7 t -102.8 118.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.669 0.271 . . . . 0.0 111.159 -175.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 m -71.34 135.17 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.815 173.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -129.75 -2.58 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.088 0.47 . . . . 0.0 111.066 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.3 mp0 -56.45 -39.81 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.4 tp -68.46 -32.25 72.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.229 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.92 42.64 99.76 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.072 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.92 72.74 1.79 Allowed Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.931 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 54.45 48.92 19.48 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.017 0.527 . . . . 0.0 111.274 175.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.76 74.32 0.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.793 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.77 -46.8 95.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.932 0.396 . . . . 0.0 110.414 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.95 -32.31 73.31 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.891 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 85' ' ' GLU . 51.6 tttp -67.28 -36.15 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG2' HD11 ' A' ' 6' ' ' ILE . 4.7 ttmp? -60.84 -48.3 82.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.344 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.704 HD21 HG13 ' A' ' 15' ' ' ILE . 78.5 mt -66.49 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.257 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.32 -36.74 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.711 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.53 -45.61 91.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.86 94.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.42 -51.9 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 89.0 t -61.39 -42.06 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 20.1 tt0 -64.25 -45.38 88.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.84 -176.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -72.84 -36.75 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.69 78.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.491 . . . . 0.0 110.213 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -62.68 -35.48 79.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.076 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.6 mt-10 -65.85 -53.01 45.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.746 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.553 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 10.3 m120 -85.25 2.69 42.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.082 -170.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.501 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.8 OUTLIER 65.45 37.31 6.22 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.228 0.537 . . . . 0.0 110.374 178.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 96.1 mt -88.36 169.96 11.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HD2' ' HG3' ' A' ' 35' ' ' GLU . 86.7 mttt -113.18 130.75 56.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 61' ' ' VAL . 50.4 mt -106.69 120.68 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.345 0.593 . . . . 0.0 111.93 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 23.9 pt -123.07 161.2 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.942 170.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.8 129.62 40.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.081 0.467 . . . . 0.0 111.675 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 34.2 t -85.62 -44.81 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.088 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 65.8 m -66.47 122.11 16.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.259 175.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 t -61.73 -30.18 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 81' ' ' MET . 64.6 t80 -59.33 -58.17 9.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.96 85.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 5.2 tmmm? -61.11 -40.74 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.875 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 49.1 t60 -75.42 -21.76 57.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.782 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 89.0 mtp -69.45 -34.69 74.78 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.33 -30.81 65.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.402 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 80' ' ' HIS . 45.4 mt-10 -70.84 -37.68 73.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -57.28 -52.28 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.808 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 11.6 tt0 -114.75 117.19 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -168.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -74.26 0.62 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.048 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 t -82.75 -4.5 58.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.425 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 85' ' ' GLU . 78.5 m-85 -102.59 9.07 39.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.438 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -77.52 2.0 17.68 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -67.18 -58.26 5.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.12 -3.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.315 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 64.3 t80 -83.66 114.13 21.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.421 HD11 ' HD3' ' A' ' 70' ' ' LYS . 91.8 mt -65.31 -33.81 76.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -176.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 92' ' ' TYR . . . 81.97 155.45 15.47 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.334 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.43 -62.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -141.06 91.32 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.2 112.91 2.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 111.049 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.99 108.26 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 -177.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -127.73 -80.7 0.59 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 101' ' ' HIS . 26.6 t-80 -178.46 -13.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.765 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' HIS . 96.6 m-70 75.34 -66.38 0.29 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.399 0.68 . . . . 0.0 110.113 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.246 0.902 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.979 . . . . . . . . 0 0 . 1 stop_ save_