data_2mjf_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 2mjf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.2 pt-20 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.361 0.124 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.781 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 8.5 m-80 -57.82 -41.92 83.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -55.91 -47.29 77.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.74 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.512 ' NE2' HD23 ' B' ' 130' ' ' LEU . 6.1 mt-30 -70.52 -38.94 74.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.9 mp -54.13 -43.13 70.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.28 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 58.3 mt -61.96 -51.54 67.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.438 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -69.73 -28.0 65.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.764 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' B' ' 126' ' ' LEU . 64.5 t80 -61.01 -57.24 13.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.787 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 72.9 mt -59.21 -35.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.655 0.74 . . . . 0.0 110.299 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.62 -43.01 97.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 22' ' ' VAL . 52.9 mt-10 -66.11 -35.21 79.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.045 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 9.7 mp -54.09 -51.7 63.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.96 0.41 . . . . 0.0 110.548 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.54 -17.19 77.75 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.234 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.03 -30.62 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 111.08 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 18' ' ' GLU . 23.1 m -101.58 -17.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.61 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.14 32.23 3.83 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.844 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.8 mt -101.41 -6.69 23.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.006 0.431 . . . . 0.0 110.164 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 22.7 tp -105.99 -4.22 20.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.485 0.659 . . . . 0.0 110.706 -175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.03 142.69 45.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.575 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB3' ' HG2' ' B' ' 70' ' ' LYS . 55.1 p90 -152.97 172.41 16.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 111.929 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 134.11 22.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.963 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.2 mt -117.9 135.07 54.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.911 0.386 . . . . 0.0 111.11 -177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -83.38 168.99 16.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -52.75 -44.07 66.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.02 -40.58 96.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.2 mt-10 -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.66 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -76.28 -29.49 57.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.223 0.535 . . . . 0.0 110.249 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.8 -34.33 69.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.233 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.98 -25.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 111.169 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 60.9 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.533 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.557 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 3.1 mptt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.333 0.587 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.01 159.61 26.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.112 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 mt -74.01 171.86 12.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.338 0.589 . . . . 0.0 111.104 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -96.3 -36.59 10.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.121 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -93.65 124.52 37.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.869 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -65.14 -34.25 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.78 78.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -83.68 -41.04 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -55.14 -34.03 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.04 -50.9 63.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.049 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.505 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.2 mp -65.96 -47.32 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -55.67 -31.01 62.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.88 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.0 mm-40 -90.42 -22.13 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -107.75 26.44 10.31 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.7 m -147.08 88.3 1.72 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.162 0.506 . . . . 0.0 111.195 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.797 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 3.6 pm0 -68.73 -22.48 64.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.95 -37.64 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.494 ' HG3' ' NZ ' ' B' ' 65' ' ' LYS . 6.1 tp-100 -72.92 -33.23 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.42 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.25 -36.75 83.83 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.375 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 68.9 mt -68.18 -38.2 81.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.193 0.521 . . . . 0.0 110.434 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.468 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 31.4 tp -70.99 -9.12 57.43 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.301 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.494 ' NZ ' ' HG3' ' B' ' 61' ' ' GLN . 60.9 mttp -79.43 -24.66 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -72.04 128.34 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -64.55 -24.32 67.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -70.75 -38.31 73.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.497 0.665 . . . . 0.0 109.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.474 ' HA ' HD11 ' B' ' 119' ' ' ILE . 72.8 t -69.06 -57.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.856 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 27' ' ' TYR . 4.1 tppp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' LEU . 40.8 t80 -61.86 -50.86 70.54 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -67.64 -27.71 67.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.424 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.473 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.9 mt -75.96 -28.3 57.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.422 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 25' ' ' LEU . . . -69.62 -30.13 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.553 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.07 -39.2 81.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.3 m -84.1 -28.72 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.944 -176.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -61.14 -33.32 73.21 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -58.02 -38.62 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.118 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 68.6 mt -69.75 -49.43 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.602 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.93 -18.48 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.059 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 177.853 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 120.925 0.393 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.79 -30.77 70.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.481 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.8 mptt -52.61 -44.36 65.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.813 174.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -65.55 -51.94 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.18 -31.54 70.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.641 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.416 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -69.19 -48.76 61.22 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.564 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 98' ' ' LYS . 96.8 t -59.41 -35.75 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.691 0.281 . . . . 0.0 110.314 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -52.37 -35.24 50.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.425 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.2 m-85 -74.64 -51.57 14.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.65 -25.76 68.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.583 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.48 -23.46 66.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.698 0.285 . . . . 0.0 111.13 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.7 p -96.56 -4.58 41.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.163 0.506 . . . . 0.0 110.027 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.5 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -104.53 -24.28 13.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.677 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -82.16 -177.66 6.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.321 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -55.29 122.97 12.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.239 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.81 22.64 52.57 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.284 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.9 -159.51 32.33 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.646 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 pt -105.38 -42.43 7.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 120.8 0.333 . . . . 0.0 111.283 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -122.25 45.89 2.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -75.33 151.53 38.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.041 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.76 142.26 51.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.601 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.38 -36.14 79.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.993 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.83 -24.19 48.75 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' B' ' 108' ' ' LEU . 32.1 mm -80.08 -40.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 2.4 tm-20 -56.19 -52.18 65.35 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.09 -37.4 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.51 -54.24 40.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.603 0.24 . . . . 0.0 110.441 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.79 -38.25 86.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.799 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 77.9 mm-40 -62.88 -53.2 57.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.636 0.255 . . . . 0.0 111.216 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.408 HG21 ' HG2' ' B' ' 59' ' ' GLU . 74.3 mt -62.96 -41.68 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 15' ' ' PHE . 1.2 tt -60.96 -61.54 2.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.352 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.02 -25.87 68.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.21 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.23 -51.25 67.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.423 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.505 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.3 mmtt -76.35 -29.42 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.169 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.512 HD23 ' NE2' ' A' ' 11' ' ' GLN . 85.7 mt -64.19 -31.78 73.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.343 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -89.9 -18.52 25.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.349 . . . . 0.0 110.748 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.376 -179.18 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.52 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 120.756 0.312 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.785 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 m-80 -59.28 -40.97 87.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -55.56 -35.28 65.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.918 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' A' ' 11' ' ' GLN . 6.9 mt-30 -79.6 -41.0 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.135 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.5 mp -57.15 -42.66 81.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 77.5 mt -58.39 -51.32 70.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.816 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.1 m-20 -71.82 -26.02 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.043 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' B' ' 126' ' ' LEU . 50.3 t80 -63.57 -52.34 61.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.1 -36.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.377 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 49.4 ttt180 -63.23 -49.36 74.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.796 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 64.9 mt-10 -63.44 -38.76 92.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 110.209 177.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.03 -51.87 54.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.723 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.32 -31.53 68.7 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.996 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.75 -30.72 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.948 0.374 . . . . 0.0 111.713 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 18' ' ' GLU . 18.9 m -98.1 -9.39 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 0.0 110.888 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.55 7.98 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.099 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 87.5 mt -98.75 -18.3 18.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.406 0.622 . . . . 0.0 109.943 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' B' ' 73' ' ' LEU . 56.6 tp -99.0 -8.33 25.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.375 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.11 144.25 57.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -145.41 175.55 10.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.728 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -146.28 124.98 12.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -106.17 130.27 54.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.53 . . . . 0.0 111.935 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -85.82 175.69 8.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.16 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.05 -39.71 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.83 -42.43 81.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.69 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.2 mm-40 -65.59 -30.77 71.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.48 -28.07 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.153 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.39 -34.82 73.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.16 -23.61 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 52.3 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.142 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.607 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.223 0 CA-C-O 121.383 0.611 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -115.29 170.45 8.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.295 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.64 174.04 11.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.085 0.469 . . . . 0.0 110.677 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.428 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 18.5 mtpp -92.57 -36.77 12.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.333 -173.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -92.28 125.2 36.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.25 -33.94 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.94 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -80.79 -44.62 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.431 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.575 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 31.5 t70 -55.77 -33.2 64.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.052 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -56.91 -48.19 78.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.164 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.21 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.5 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.426 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 42.8 t80 -60.39 -26.74 66.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.003 -177.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.1 mm-40 -94.57 -17.01 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.25 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.7 m -108.62 87.35 2.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.446 0.641 . . . . 0.0 110.168 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.79 57.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.657 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.472 ' HG3' HG23 ' B' ' 125' ' ' ILE . 14.2 pt-20 -72.75 -19.93 61.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 109.853 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -77.27 -30.95 54.59 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -76.03 -36.53 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.564 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.8 pt-20 -62.9 -28.78 70.29 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.652 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 48.3 mt -71.15 -36.05 71.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.308 0.575 . . . . 0.0 109.677 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 25.9 mt -77.7 14.62 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.629 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 50.4 mtpt -105.39 -11.18 16.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.532 . . . . 0.0 109.721 175.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.443 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 97.4 m-85 -89.04 131.27 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.03 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.4 -23.77 63.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.93 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.8 m -73.88 -34.23 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.597 0.713 . . . . 0.0 109.728 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.471 HG23 ' HB1' ' B' ' 118' ' ' ALA . 90.7 t -68.97 -60.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.525 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 36.0 mtpt -55.15 -37.84 67.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.211 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.7 -51.03 70.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.939 0.399 . . . . 0.0 111.388 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -66.32 -34.71 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.204 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.575 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.0 mt -75.65 -33.41 60.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.46 -30.56 70.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.736 0.303 . . . . 0.0 110.759 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.575 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -76.88 -31.3 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.259 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.4 t80 -56.17 -41.33 75.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 32.6 mtm180 -61.82 -34.76 76.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -67.25 -45.2 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.01 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -63.73 -24.1 67.64 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.977 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.858 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.48 -24.41 67.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.518 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.537 ' O ' HG22 ' B' ' 102' ' ' VAL . 13.4 mptt -51.2 -52.54 43.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.976 173.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -51.84 67.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.986 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.51 -34.59 78.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.87 81.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.594 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 98' ' ' LYS . 64.4 t -60.75 -35.36 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.753 0.311 . . . . 0.0 110.465 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.2 -29.61 61.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.584 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.561 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 5.2 m-85 -81.6 -42.2 20.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.68 -31.46 72.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.487 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.28 -31.68 72.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.984 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.2 p -88.61 -6.55 57.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.137 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 74.5 mt -107.2 -18.31 13.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.394 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -79.6 172.66 13.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.18 137.46 57.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.332 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.52 39.62 14.4 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.791 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.74 -151.17 13.54 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.7 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -116.63 -39.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.669 0.271 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -131.75 46.52 2.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 4.2 p90 -81.13 151.23 28.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.962 -171.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.53 140.35 52.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.493 -177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.43 -31.68 71.62 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.953 -170.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.471 ' HB1' HG23 ' B' ' 69' ' ' VAL . . . -73.89 -27.46 61.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.833 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' B' ' 108' ' ' LEU . 30.5 mm -77.21 -38.22 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tm-20 -59.73 -51.59 69.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.463 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.31 -36.68 83.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -51.79 -53.58 38.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.833 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 65.0 m -59.31 -45.78 90.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.528 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 34.6 mm-40 -62.17 -55.11 31.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.533 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.472 HG23 ' HG3' ' B' ' 59' ' ' GLU . 77.1 mt -62.82 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 15' ' ' PHE . 39.6 tp -70.8 -51.06 29.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.656 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.427 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.1 pp -65.22 -26.87 68.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.23 -54.77 39.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -80.87 -24.11 38.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 38.9 mt -71.12 -25.63 62.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.235 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.96 -20.47 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.85 0.357 . . . . 0.0 111.006 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.294 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.576 ' O ' HD11 ' A' ' 12' ' ' LEU . 6.1 pt-20 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.708 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 p30 -57.61 -40.6 79.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.596 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -65.94 -37.32 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 0.0 110.273 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 11' ' ' GLN . 13.5 mt-30 -71.89 -37.71 70.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.102 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 8' ' ' GLU . 5.7 mp -54.45 -44.22 72.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.668 174.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 56.7 mt -58.54 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.149 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -37.79 80.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.4 t80 -63.8 -54.58 32.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.353 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.76 -38.89 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.483 0.658 . . . . 0.0 110.519 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -61.21 -46.5 90.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.94 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.43 -29.44 69.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.311 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 82.8 mt -57.73 -49.43 76.57 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 121.09 0.472 . . . . 0.0 109.862 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.43 -23.52 77.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.886 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.02 -44.95 71.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.658 0.266 . . . . 0.0 111.318 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 44' ' ' THR . 17.3 m -91.96 -19.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.152 0.501 . . . . 0.0 110.84 -175.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.69 38.13 3.05 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.543 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.28 -30.01 13.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.812 0.815 . . . . 0.0 109.235 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' B' ' 73' ' ' LEU . 28.9 tp -86.27 -12.92 48.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.499 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 9.8 pt-20 -60.6 136.45 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.814 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 36.9 p90 -146.12 177.82 8.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.173 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -152.9 110.46 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.7 mt -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.721 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -82.74 170.23 15.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.732 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -53.32 -43.13 67.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.665 0.269 . . . . 0.0 111.349 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.7 -41.69 75.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.564 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 mt-10 -63.84 -28.21 69.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -81.19 -29.58 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.21 -30.61 67.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.148 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.9 m -83.9 -27.93 7.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.873 0.368 . . . . 0.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.642 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.422 HG21 ' NE2' ' B' ' 55' ' ' GLN . 3.8 m -135.75 150.95 49.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' B' ' 51' ' ' ASP . 41.9 mt -69.3 167.97 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.982 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -98.18 -37.18 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.591 -173.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -91.47 121.44 33.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.986 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -64.18 -32.63 74.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.427 -176.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.69 70.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -94.07 -36.66 12.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.422 ' HA ' HD11 ' B' ' 45' ' ' LEU . 22.9 t70 -55.41 -34.89 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.99 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -51.78 -51.01 59.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.869 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.1 mp -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.584 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.48 -37.55 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.422 ' NE2' HG21 ' B' ' 44' ' ' THR . 56.2 mm-40 -86.86 -29.47 22.16 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.031 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.39 10.17 23.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.896 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -138.11 103.25 4.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.378 0.608 . . . . 0.0 110.785 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -23.68 52.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 26.2 mt-10 -68.1 -44.32 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.817 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.29 -36.0 80.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.486 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -64.41 -41.22 96.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.5 pt-20 -72.7 -22.76 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.832 0.349 . . . . 0.0 111.404 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 69' ' ' VAL . 91.9 mt -72.29 -31.64 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.791 0.329 . . . . 0.0 110.555 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 22.4 mt -77.86 16.78 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -104.6 5.69 33.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.098 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.625 ' O ' HG22 ' B' ' 69' ' ' VAL . 73.7 m-85 -110.8 115.38 29.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -59.41 -29.67 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.568 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 54.0 m -59.62 -41.56 90.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.218 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 66' ' ' TYR . 2.8 m -82.06 -38.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.048 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.504 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 48.0 mtpt -65.98 -33.38 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.343 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.428 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 40.7 t80 -56.04 -47.25 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.863 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.504 ' CG ' HD13 ' B' ' 108' ' ' LEU . 53.5 m80 -73.68 -38.68 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.203 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.605 ' O ' HG22 ' B' ' 76' ' ' VAL . 88.2 mt -65.43 -36.56 84.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.409 ' CB ' ' HE1' ' A' ' 27' ' ' TYR . . . -67.14 -23.84 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.451 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 45.1 mtpt -71.94 -30.82 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.605 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.9 m -79.59 -29.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.109 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -60.74 -33.03 72.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.077 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 79.5 mtt180 -62.07 -38.4 88.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.052 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.26 -50.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.31 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.43 -20.48 66.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.609 0.242 . . . . 0.0 111.214 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.681 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.438 -1.041 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.651 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.82 -29.76 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.304 177.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.539 ' O ' HG22 ' B' ' 102' ' ' VAL . 4.5 mptp? -53.54 -54.31 39.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.311 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.04 -50.9 71.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -38.2 84.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.587 0.232 . . . . 0.0 111.344 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.24 80.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.539 HG22 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.57 -37.05 76.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.882 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.44 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 10.9 m-80 -61.02 -25.35 66.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.542 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.04 -44.15 40.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.88 -24.36 65.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 110.737 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 13.2 m120 -60.68 -25.9 66.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -97.5 -1.8 43.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.117 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' B' ' 72' ' ' HIS . 4.1 mm? -105.04 -15.05 15.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.308 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -91.96 169.06 10.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.287 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -54.03 121.94 9.1 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.439 0.462 . . . . 0.0 111.101 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.05 15.56 28.03 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.526 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.78 -133.43 4.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.32 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.509 HG13 ' H ' ' B' ' 114' ' ' HIS . 5.5 pt -130.38 -54.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.964 0.412 . . . . 0.0 110.738 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.509 ' H ' HG13 ' B' ' 113' ' ' ILE . 28.7 m170 -117.62 46.03 1.82 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.477 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 5.3 p90 -74.98 149.08 39.43 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.561 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.488 ' HB2' HG12 ' B' ' 119' ' ' ILE . 12.9 m120 -110.51 133.02 53.67 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.295 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.32 -25.2 67.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.442 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.504 ' HB1' HG11 ' B' ' 69' ' ' VAL . . . -74.77 -36.51 62.56 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.796 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' B' ' 116' ' ' ASN . 38.4 mm -68.16 -37.53 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.702 0.287 . . . . 0.0 110.925 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tp10 -58.41 -51.49 69.59 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -67.4 -34.79 77.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 65.2 t80 -52.61 -50.85 62.24 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 67.5 m -58.6 -48.7 80.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.126 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 82.9 mm-40 -63.66 -53.78 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.283 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.41 -37.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 110.702 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -65.67 -62.45 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.732 0.777 . . . . 0.0 110.155 179.076 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.14 -27.35 68.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.102 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 9.9 t70 -54.23 -50.09 67.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.365 0.602 . . . . 0.0 109.938 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.422 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.0 mmtp -78.67 -27.41 45.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.326 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.463 ' CD1' HD23 ' B' ' 126' ' ' LEU . 74.4 mt -63.18 -30.6 71.71 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 173.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.83 -15.82 23.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.03 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.211 0.529 . . . . 0.0 111.34 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.8 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.0 p30 -58.04 -36.58 72.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -58.83 -48.87 79.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 0.0 110.012 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' CB ' HD11 ' B' ' 130' ' ' LEU . 20.8 mt-30 -62.81 -42.87 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.297 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 8' ' ' GLU . 3.2 mp -54.81 -41.17 70.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.848 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 89.0 mt -64.8 -48.87 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.239 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -68.02 -27.8 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.32 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.603 ' CD2' HD12 ' B' ' 126' ' ' LEU . 57.0 t80 -61.61 -59.43 5.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -53.53 -41.02 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.858 0.837 . . . . 0.0 110.257 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 45.3 ttt180 -58.13 -43.89 87.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.183 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -72.36 -31.72 65.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.816 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.82 -49.29 77.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.615 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.19 70.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.5 -31.31 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.71 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 m -111.08 7.1 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.359 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.06 32.34 39.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.221 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' B' ' 54' ' ' TYR . 95.6 mt -102.29 1.82 36.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.5 . . . . 0.0 110.607 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' B' ' 73' ' ' LEU . 54.5 tp -117.79 -4.89 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.856 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.59 145.55 53.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 111.441 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -148.67 177.45 9.49 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.483 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.46 104.16 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.12 137.19 35.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.434 -173.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 p -82.61 174.99 10.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.723 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -56.24 -38.47 71.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.725 0.298 . . . . 0.0 111.21 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.63 -42.69 64.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.64 -28.31 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.33 -31.68 38.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.344 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.49 -32.78 73.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.342 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.46 -24.69 7.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.436 . . . . 0.0 111.311 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' B' ' 71' ' ' PHE . 61.8 mt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.589 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.935 0.398 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -114.38 163.86 14.74 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.0 mt -80.47 173.78 12.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.014 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -80.3 -54.34 5.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.408 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -83.39 130.05 35.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.953 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -70.15 -33.19 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.3 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.62 -9.29 48.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -106.06 -43.48 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.573 0.701 . . . . 0.0 109.493 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 24.8 t70 -56.7 -42.85 79.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.069 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.09 -35.93 76.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.45 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.5 mt -70.4 -44.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.697 0.284 . . . . 0.0 110.624 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.626 ' CE2' HD12 ' A' ' 24' ' ' LEU . 49.1 t80 -60.71 -25.59 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 32.3 mm-40 -87.28 -27.23 23.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.268 0.556 . . . . 0.0 110.465 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -103.03 31.54 4.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.52 ' HB2' ' CB ' ' B' ' 60' ' ' LEU . 22.8 p -136.26 78.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.172 0.51 . . . . 0.0 111.192 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.73 65.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 9.0 mm-40 -80.24 -30.17 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.52 ' CB ' ' HB2' ' B' ' 57' ' ' SER . 30.6 tp -83.77 -45.45 13.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.03 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -58.35 -26.35 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 9.7 pt-20 -73.54 -19.74 60.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.902 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.99 -35.76 25.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.29 -4.2 20.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.345 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 59.1 mtpt -81.11 -19.55 43.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.037 0.446 . . . . 0.0 110.198 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -89.73 133.84 34.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.643 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -76.11 -22.33 55.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.575 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 64.9 m -67.24 -37.96 84.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.88 0.848 . . . . 0.0 109.307 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.13 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.337 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -55.9 -33.05 64.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.096 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.555 ' CD2' HD11 ' A' ' 37' ' ' LEU . 46.3 t80 -59.76 -55.16 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.423 ' CG ' HD11 ' B' ' 108' ' ' LEU . 24.0 m80 -68.7 -30.14 68.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 -176.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.633 ' O ' HG23 ' B' ' 76' ' ' VAL . 89.9 mt -71.54 -36.54 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.467 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.11 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.032 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -63.24 -32.18 73.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 73' ' ' LEU . 2.7 m -82.1 -28.64 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.809 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 18.1 t80 -60.4 -31.43 70.36 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.185 177.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.871 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 60.1 mt -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.335 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -69.65 -14.68 62.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.489 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.921 0.391 . . . . 0.0 110.305 176.77 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.447 ' C ' HD13 ' B' ' 96' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.457 -0.099 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.03 -31.83 72.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.975 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.578 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.6 mptt -53.53 -47.48 69.92 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.476 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.02 -50.11 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.642 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.63 75.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.495 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 98' ' ' LYS . 99.5 t -59.7 -38.21 74.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.31 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.424 ' O ' HD22 ' B' ' 108' ' ' LEU . 3.7 m-85 -74.63 -49.84 19.99 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.606 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.78 -25.27 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.58 -14.31 62.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.288 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.4 p -103.88 -3.44 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.118 0.485 . . . . 0.0 109.887 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.488 ' HB3' HG23 ' B' ' 119' ' ' ILE . 3.9 mm? -101.98 -17.08 16.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.957 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -72.06 160.86 31.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.481 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -53.66 113.79 1.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.332 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.11 22.6 7.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.466 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.74 -155.98 30.01 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.082 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.93 -44.5 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -119.47 34.96 5.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.3 p90 -73.82 151.2 40.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.942 -172.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' B' ' 119' ' ' ILE . 13.6 m120 -119.31 137.6 53.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.27 -177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.78 -27.73 66.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.582 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.95 -32.24 30.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.268 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' B' ' 108' ' ' LEU . 28.1 mm -70.62 -37.7 70.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 110.698 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 18.7 tp10 -60.68 -45.89 92.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.135 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . 0.516 ' CD1' HD12 ' B' ' 60' ' ' LEU . 78.4 t80 -50.48 -56.7 10.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.25 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.2 -37.81 88.81 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.966 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 79.4 mm-40 -65.84 -53.6 37.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.04 -37.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.337 0.589 . . . . 0.0 110.548 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.603 HD12 ' CD2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -67.11 -63.34 1.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.848 -178.088 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.4 pp -61.69 -27.23 68.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.836 -172.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -53.25 -46.95 69.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.286 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.45 ' CB ' HG12 ' B' ' 53' ' ' ILE . 55.0 mmtt -84.23 -22.54 30.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.831 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' B' ' 126' ' ' LEU . 92.0 mt -71.33 -30.58 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.311 0.577 . . . . 0.0 110.358 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -77.66 -24.8 49.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.217 0.532 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.19 -0.913 . . . . 0.0 112.323 -175.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 12' ' ' LEU . 9.4 pt-20 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.817 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 37.9 m-80 -58.33 -39.41 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.429 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -54.16 -42.61 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.399 0.437 . . . . 0.0 110.807 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 11' ' ' GLN . 7.1 mt-30 -74.83 -39.87 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 8' ' ' GLU . 7.7 mp -56.44 -42.1 77.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.997 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 62.2 mt -57.66 -53.78 54.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.248 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.8 m-20 -65.41 -34.99 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -59.61 -57.96 10.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 76.2 mt -58.9 -36.56 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.514 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 31.6 ttt180 -61.03 -42.64 98.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.02 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 60.2 mt-10 -62.0 -36.97 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.23 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.8 mp -55.0 -51.46 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 -25.5 73.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.237 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.42 -36.73 74.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.201 0.5 . . . . 0.0 111.104 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -95.5 -18.73 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.157 0.503 . . . . 0.0 110.723 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.89 5.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.201 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.2 mt -88.45 -11.89 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.184 0.516 . . . . 0.0 110.049 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 74' ' ' ALA . 6.9 mt -99.04 -10.97 21.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.814 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.42 121.45 7.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.871 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 53.7 p90 -130.88 170.95 13.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.216 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -150.2 117.17 5.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.0 mt -99.2 133.43 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.124 0.488 . . . . 0.0 111.46 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -93.38 171.72 8.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.267 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -54.62 -40.72 69.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.867 0.365 . . . . 0.0 111.455 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.35 -38.58 74.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.149 0.499 . . . . 0.0 110.388 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 mm-40 -71.03 -25.03 62.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.79 -31.95 31.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.67 -33.73 75.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.137 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.12 -21.53 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.223 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 53.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.2 0.524 . . . . 0.0 110.956 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.473 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -108.68 170.22 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 44.8 mt -82.83 176.61 9.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.146 0.498 . . . . 0.0 111.625 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.06 -52.2 5.57 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.431 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -80.92 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.542 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.472 ' HB2' ' HZ1' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -66.01 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -175.532 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.61 84.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -73.11 -47.56 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.111 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -55.97 -36.66 68.08 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.41 -49.25 72.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.157 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.93 -41.14 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.55 -33.36 71.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 74.9 mm-40 -85.69 -23.56 27.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -103.68 22.22 14.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.195 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -147.27 102.21 3.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.922 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -24.95 53.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.48 -20.16 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.48 -33.44 28.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -69.9 -41.77 74.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.07 -25.95 68.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.756 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 52.4 mt -67.04 -28.77 68.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.69 -4.63 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.444 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -84.2 -12.82 54.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.0 110.077 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -89.37 126.95 35.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.832 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.25 -26.07 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.41 HG21 ' CD2' ' A' ' 37' ' ' LEU . 61.2 m -76.63 -35.69 57.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.703 0.764 . . . . 0.0 110.304 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 59.3 t -77.4 -53.91 13.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.484 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.518 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 35.4 ttpt -59.84 -32.59 70.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.572 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 62.9 t80 -59.96 -54.52 45.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 175.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -66.89 -29.21 69.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.886 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.635 ' O ' HG21 ' B' ' 76' ' ' VAL . 90.1 mt -71.78 -45.05 62.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.79 0.329 . . . . 0.0 110.661 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -66.35 -18.91 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.647 0.261 . . . . 0.0 111.482 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.7 mmmt -63.19 -37.53 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.474 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.635 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.6 m -79.98 -27.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.1 t80 -56.73 -40.87 76.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.003 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -61.29 -28.11 68.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.648 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -75.66 -41.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.994 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.51 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -71.94 -13.98 61.79 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.761 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.775 176.658 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.417 ' C ' HD12 ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.53 -34.03 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.525 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.529 ' O ' HG22 ' B' ' 102' ' ' VAL . 13.2 mptt -58.16 -44.73 88.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.506 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.24 -49.3 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.54 -34.94 76.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.23 79.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.429 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.529 HG22 ' O ' ' B' ' 98' ' ' LYS . 85.6 t -59.97 -37.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.496 177.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -53.48 -39.94 64.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.201 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.524 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 2.7 m-85 -66.93 -48.75 67.64 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.78 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.1 mm? -61.84 -34.89 76.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.898 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -64.42 -31.38 72.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.674 0.273 . . . . 0.0 111.314 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -83.65 -8.99 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.636 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 81.6 mt -105.22 1.3 28.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.661 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 16.1 mmt180 -77.35 173.75 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -58.39 124.02 18.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.01 29.09 23.99 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.495 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.69 -153.09 28.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.081 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 pt -115.62 -48.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.567 0.222 . . . . 0.0 111.394 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.61 39.7 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.05 150.95 33.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.051 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.519 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.4 m120 -117.69 136.44 53.34 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.706 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 10.8 pt-20 -57.05 -28.34 62.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.061 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -82.45 -22.56 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.496 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.519 HG12 ' HB2' ' B' ' 116' ' ' ASN . 22.9 mm -71.78 -41.57 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 9.5 tp10 -63.63 -44.32 94.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 78.2 mm-40 -59.36 -43.41 92.83 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.359 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -53.42 -53.79 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.011 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.04 -47.82 83.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.926 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 84.0 mm-40 -64.44 -50.48 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.895 -175.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.51 -42.44 95.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.201 0.524 . . . . 0.0 110.553 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -69.18 -51.56 36.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.707 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.92 -27.61 68.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 110.05 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.68 -44.86 96.01 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -82.33 -28.27 31.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.65 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.29 -38.54 87.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.387 . . . . 0.0 110.573 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -82.2 -14.41 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.699 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.705 -177.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.78 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 4.9 p30 -53.82 -41.47 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.393 0.433 . . . . 0.0 111.305 175.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -57.9 -39.6 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.786 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.52 ' NE2' ' HB3' ' B' ' 130' ' ' LEU . 6.8 mt-30 -80.91 -35.71 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.533 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 92.9 mt -57.97 -45.3 86.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.089 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -60.69 -52.06 66.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.474 -173.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.95 -23.29 63.16 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.178 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CE2' HD12 ' B' ' 126' ' ' LEU . 49.2 t80 -67.02 -49.57 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.65 -34.52 62.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.746 0.784 . . . . 0.0 109.782 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.6 ttt180 -63.54 -47.76 80.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.55 -37.31 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.57 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 tp -51.65 -56.59 12.78 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.091 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.61 -15.75 79.22 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -37.89 66.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.058 0.429 . . . . 0.0 110.978 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.71 -16.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 37.07 3.99 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.81 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD12 ' CE2' ' B' ' 54' ' ' TYR . 94.8 mt -99.24 -4.48 31.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.551 0.691 . . . . 0.0 109.447 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' B' ' 73' ' ' LEU . 40.7 tp -115.49 -2.43 12.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.664 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.03 138.81 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.858 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.18 173.55 11.84 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.925 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.93 128.35 9.95 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.74 128.22 54.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -83.42 171.42 13.48 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.22 -39.65 72.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.222 0.465 . . . . 0.0 110.983 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.72 -41.55 78.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.45 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.85 -32.8 34.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.251 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.35 -31.68 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.298 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -82.0 -21.15 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.817 0.341 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 HD12 ' CD2' ' B' ' 71' ' ' PHE . 67.0 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.456 . . . . 0.0 111.12 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.438 HG22 ' NE2' ' B' ' 55' ' ' GLN . 0.9 OUTLIER -136.55 163.03 31.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.44 177.532 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 56.7 mt -79.86 171.93 14.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.252 0.548 . . . . 0.0 110.609 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.92 -29.05 13.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.351 -173.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -96.01 125.36 40.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.815 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.935 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -7.3 43.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.54 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.51 -40.95 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.112 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -60.18 -37.64 80.83 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.309 -176.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -37.61 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.26 -40.25 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.948 0.404 . . . . 0.0 110.326 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.525 ' CE2' HD12 ' A' ' 24' ' ' LEU . 56.7 t80 -62.4 -27.28 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.9 mm-40 -93.33 -33.88 13.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.643 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.2 -32.55 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.907 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -102.25 89.47 3.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.613 0.72 . . . . 0.0 110.367 -175.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.6 59.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.57 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.414 ' HG3' HG22 ' B' ' 125' ' ' ILE . 10.9 pt-20 -77.91 -18.87 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.52 0.676 . . . . 0.0 109.562 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.61 -33.18 36.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.655 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -72.64 -38.3 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.029 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.17 -30.26 68.05 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -71.73 -38.09 70.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.118 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.33 13.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.616 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.4 -7.11 26.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.097 0.475 . . . . 0.0 109.738 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -96.14 126.29 41.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.39 -21.74 63.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.473 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -67.49 -47.29 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 109.091 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' B' ' 118' ' ' ALA . 97.2 t -60.16 -59.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.739 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -56.75 -33.85 66.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.08 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.416 ' CD2' HD12 ' A' ' 37' ' ' LEU . 34.3 t80 -62.64 -51.43 67.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 111.096 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -65.97 -36.31 82.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.614 ' O ' HG21 ' B' ' 76' ' ' VAL . 94.4 mt -70.43 -37.66 74.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.32 69.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -63.94 -32.17 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.614 HG21 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -80.95 -32.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.7 t80 -58.6 -40.3 82.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.651 178.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 78' ' ' ARG . 20.5 mtm180 -61.42 -31.63 71.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.332 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -70.18 -49.11 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 76' ' ' VAL . 1.5 mm? -57.25 -26.6 61.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.671 0.272 . . . . 0.0 111.552 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.445 -0.717 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.064 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.63 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -70.2 -24.42 63.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.612 ' O ' HG22 ' B' ' 102' ' ' VAL . 0.5 OUTLIER -57.81 -45.74 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.592 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -53.67 -59.33 4.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.112 0.482 . . . . 0.0 110.572 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.57 -32.99 73.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.069 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.7 80.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.604 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.612 HG22 ' O ' ' B' ' 98' ' ' LYS . 59.4 t -61.76 -34.22 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -57.97 -26.13 61.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.144 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -84.2 -39.99 18.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.576 0.226 . . . . 0.0 110.473 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.613 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.9 mm? -65.42 -31.75 73.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.388 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -32.64 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -86.08 -1.59 57.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.72 0.295 . . . . 0.0 110.825 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.1 mt -113.63 0.44 14.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.459 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 21.4 mmm-85 -91.39 162.95 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.53 123.18 7.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.765 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.46 57.23 1.67 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.684 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.06 -168.85 11.39 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.57 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.53 -44.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -130.38 38.92 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -75.93 137.5 40.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.442 0.639 . . . . 0.0 111.066 -173.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.419 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.7 m120 -114.95 142.69 46.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.19 -0.913 . . . . 0.0 108.9 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.5 -27.8 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.777 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.421 ' HB3' HG23 ' B' ' 69' ' ' VAL . . . -71.53 -27.49 63.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.777 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' B' ' 108' ' ' LEU . 27.0 mm -75.79 -39.83 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 109.842 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.74 -43.72 79.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.968 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.43 -44.6 80.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.907 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 79.1 t80 -52.79 -56.76 13.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.235 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.8 m -55.95 -49.72 72.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -65.41 -56.31 13.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.733 -174.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.414 HG22 ' HG3' ' B' ' 59' ' ' GLU . 84.6 mt -59.1 -41.17 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 110.814 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 15' ' ' PHE . 38.1 tp -70.56 -51.56 27.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.327 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.423 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.0 pp -65.64 -27.39 68.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.98 -48.46 78.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.099 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -80.09 -32.22 39.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.455 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.52 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 67.8 mt -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.24 -6.83 52.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 111.12 -179.359 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.62 ' O ' HD13 ' A' ' 12' ' ' LEU . 8.6 pt-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.745 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 22.2 m-80 -60.51 -39.41 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.252 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.88 -43.69 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 11' ' ' GLN . 7.5 mt-30 -70.84 -39.98 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.207 0.527 . . . . 0.0 109.97 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.8 mp -58.68 -42.85 89.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.101 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -59.01 -52.17 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.815 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.17 -28.75 66.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.233 0.539 . . . . 0.0 110.256 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' B' ' 126' ' ' LEU . 51.8 t80 -62.86 -52.78 61.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.034 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.5 -33.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.049 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 30.0 ttt180 -60.58 -49.98 75.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.752 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.17 -36.47 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.439 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.3 tp -51.86 -52.92 46.1 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.145 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.0 -19.91 78.21 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.914 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.18 -34.6 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.9 m -92.68 -19.07 6.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.22 27.64 6.82 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.662 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD11 ' CE2' ' B' ' 54' ' ' TYR . 82.1 mt -98.65 -13.7 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.529 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -97.78 -22.75 16.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.11 150.94 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.822 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -148.99 177.12 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.069 0.461 . . . . 0.0 111.501 -168.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.86 132.01 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' B' ' 71' ' ' PHE . 93.3 mt -116.82 132.54 56.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.983 0.42 . . . . 0.0 111.604 -176.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -81.25 169.43 17.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 174.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -53.51 -44.33 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -63.77 -44.01 94.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.628 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 mt-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -76.84 -28.86 55.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.127 0.489 . . . . 0.0 110.414 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.07 -32.17 66.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.66 -25.13 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.794 0.331 . . . . 0.0 111.576 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.65 0.262 . . . . 0.0 111.562 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.489 ' H ' HD22 ' A' ' 24' ' ' LEU . 32.4 mmtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.518 0.675 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.07 163.57 33.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.973 174.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -77.64 170.03 17.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.021 0.439 . . . . 0.0 110.48 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -98.43 -31.34 12.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.264 -172.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -95.69 124.54 39.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.009 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.2 -32.69 73.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.28 62.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.98 -40.37 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.74 -35.56 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.193 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.92 -46.94 74.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.481 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.6 mp -67.26 -40.26 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.239 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.521 ' CE2' HD11 ' A' ' 24' ' ' LEU . 59.3 t80 -58.81 -38.51 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.409 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.06 -31.26 39.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.322 0.582 . . . . 0.0 110.979 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.31 29.78 3.44 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.549 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -147.31 82.94 1.55 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.214 0.53 . . . . 0.0 110.82 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.76 -27.52 65.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' B' ' 125' ' ' ILE . 13.3 pt-20 -70.06 -23.63 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.316 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.55 -45.51 12.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.573 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.617 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -59.04 -28.43 66.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.901 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.25 -23.34 60.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.404 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -77.32 -27.27 52.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 109.65 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.73 5.61 17.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.768 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -91.32 -12.55 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.115 0.483 . . . . 0.0 109.733 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -87.29 124.81 33.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.606 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -73.36 -21.89 60.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.876 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 40.5 m -69.17 -46.3 67.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.646 0.736 . . . . 0.0 109.052 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.412 HG12 HD12 ' B' ' 119' ' ' ILE . 97.5 t -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.101 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -54.98 -34.61 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.794 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' A' ' 29' ' ' LEU . 56.3 t80 -60.76 -50.44 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -69.38 -37.29 77.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.867 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.648 ' O ' HG23 ' B' ' 76' ' ' VAL . 89.7 mt -67.46 -34.5 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.731 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.91 -30.54 71.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.857 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.415 ' O ' HG13 ' B' ' 79' ' ' ILE . 50.0 mtpt -66.43 -27.47 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.713 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 73' ' ' LEU . 1.6 m -83.2 -33.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.6 t80 -59.99 -41.23 91.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.108 0.48 . . . . 0.0 109.935 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 96.9 mtt180 -57.89 -36.9 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.288 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 75' ' ' LYS . 79.1 mt -64.06 -54.82 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.104 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.52 -30.21 62.78 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.776 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.111 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.439 HD11 ' C ' ' B' ' 96' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.645 0.259 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.01 -34.27 74.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.986 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.497 ' O ' HG22 ' B' ' 102' ' ' VAL . 14.2 mptt -62.22 -36.38 81.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.747 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.89 -57.59 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 109.784 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.38 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.937 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.31 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.497 HG22 ' O ' ' B' ' 98' ' ' LYS . 75.2 t -61.28 -32.27 52.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.978 0.418 . . . . 0.0 110.783 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.1 -30.63 66.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.0 -42.18 27.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.804 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -61.6 -34.71 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.816 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . 0.414 ' ND2' HG12 ' B' ' 102' ' ' VAL . 19.4 m-80 -61.37 -32.57 72.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.407 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -81.87 -6.25 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.612 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 89.6 mt -110.0 -2.82 16.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.801 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 58.7 mtp180 -109.79 -174.13 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.503 ' CE2' ' HG2' ' B' ' 120' ' ' GLU . 21.2 m-85 -51.76 116.72 2.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.76 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.28 32.57 7.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.655 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.78 -160.02 24.72 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.03 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 pt -115.45 -38.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 -176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -124.93 40.73 3.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.612 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -81.88 141.05 33.74 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.063 -170.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.464 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.3 m120 -116.84 147.77 41.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.12 -28.88 70.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.768 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.34 56.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.517 HG23 ' CB ' ' B' ' 108' ' ' LEU . 23.6 mm -69.58 -43.05 80.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.503 ' HG2' ' CE2' ' B' ' 110' ' ' TYR . 17.2 tp10 -63.64 -46.58 85.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.775 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -62.29 -37.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.538 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -52.15 64.77 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 60.7 m -59.05 -49.35 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.456 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 85.2 mm-40 -62.36 -52.89 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.551 -175.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 92.7 mt -65.11 -41.59 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.921 0.391 . . . . 0.0 111.328 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.4 tp -66.77 -51.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' B' ' 130' ' ' LEU . 2.0 pp -66.84 -26.62 67.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 25.4 t70 -54.54 -50.18 68.51 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.326 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.481 ' HB2' HG12 ' B' ' 53' ' ' ILE . 47.3 mmtt -79.29 -34.67 42.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.096 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' B' ' 127' ' ' LEU . 72.2 mt -64.51 -25.8 68.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -100.19 -11.38 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.765 0.317 . . . . 0.0 110.99 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.33 0.586 . . . . 0.0 111.09 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.0 pt-20 . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.4 m-80 -60.94 -29.72 69.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.984 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -65.72 -28.27 68.93 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.777 0.322 . . . . 0.0 110.14 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.53 -35.44 58.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 HD11 HD13 ' B' ' 126' ' ' LEU . 4.5 mm? -56.65 -48.66 77.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 27.9 mt -59.03 -54.81 42.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.385 -174.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 20.0 m-20 -66.42 -30.4 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.096 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' HD12 ' A' ' 19' ' ' LEU . 77.9 t80 -63.65 -57.58 9.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 110.011 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.23 -35.69 59.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.506 0.669 . . . . 0.0 110.223 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.5 ttt180 -58.96 -43.71 91.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.924 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.5 mt-10 -71.84 -34.5 69.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.181 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 8.6 mp -54.38 -53.71 50.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 175.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.61 83.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.928 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.37 -35.95 82.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.763 0.316 . . . . 0.0 111.504 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 18' ' ' GLU . 31.3 m -96.46 -5.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 0.0 110.551 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.63 31.17 13.54 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.536 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' B' ' 54' ' ' TYR . 81.4 mt -100.48 0.33 39.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.29 0.566 . . . . 0.0 110.356 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 38.3 tp -113.89 -10.29 12.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.238 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.31 131.15 49.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.148 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.52 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -152.14 103.04 2.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -85.17 145.02 27.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.217 0.532 . . . . 0.0 111.782 -172.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -84.58 169.27 14.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.163 171.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.25 -39.62 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.059 0.39 . . . . 0.0 111.114 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.83 -40.82 92.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -67.39 -27.25 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.404 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -81.1 -32.54 33.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.141 0.496 . . . . 0.0 110.249 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.16 -35.32 80.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.14 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.95 -22.84 12.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 55.2 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.928 0.394 . . . . 0.0 111.184 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' B' ' 43' ' ' LYS . 2.8 mppt? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -108.82 174.59 5.8 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.649 174.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 37.7 mt -84.61 175.43 9.25 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.524 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -85.23 -48.6 8.95 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.347 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 24.6 m -85.48 125.77 33.31 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.65 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.85 -32.12 72.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -22.58 66.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.686 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.1 -46.44 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.106 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.441 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 34.8 t70 -53.48 -39.09 64.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.348 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.25 -53.34 17.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.424 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' B' ' 129' ' ' LYS . 5.3 mp -67.99 -40.96 84.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.431 ' CE2' HD13 ' A' ' 24' ' ' LEU . 85.9 t80 -60.73 -36.44 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.892 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.9 mm-40 -83.26 -20.47 34.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 0.0 110.336 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -113.7 31.88 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.2 m -139.74 85.64 2.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.174 0.511 . . . . 0.0 110.906 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.73 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.646 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.89 -23.05 39.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 tp -84.48 -47.85 10.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.28 -28.89 60.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.164 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.37 -20.43 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.86 -37.47 55.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.213 0.53 . . . . 0.0 109.633 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.77 -13.97 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.147 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.17 -15.1 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.654 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -92.93 131.46 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -74.81 -16.43 60.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -68.18 -33.22 74.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.94 0.876 . . . . 0.0 109.305 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.406 HG21 ' HB1' ' B' ' 118' ' ' ALA . 97.4 t -74.31 -55.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.163 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -47.78 -46.92 30.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.878 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 60.8 t80 -55.44 -51.66 66.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.551 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -70.65 -32.89 70.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.398 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.635 ' O ' HG21 ' B' ' 76' ' ' VAL . 87.7 mt -73.54 -35.83 65.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.008 0.432 . . . . 0.0 110.59 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.88 -33.5 75.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.857 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.5 mtpt -62.68 -32.12 73.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.635 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.1 m -81.34 -32.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.4 t80 -62.05 -40.43 95.74 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 41.3 mtm180 -59.72 -25.7 65.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.227 0.537 . . . . 0.0 110.805 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.5 -53.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.049 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.4 -26.24 66.53 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.368 178.112 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.571 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -61.7 -39.28 90.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.512 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.58 ' O ' HG22 ' B' ' 102' ' ' VAL . 5.8 mptp? -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.761 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.88 -57.62 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.95 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.34 -40.57 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.147 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 13' ' ' LEU . . . -63.02 -46.2 88.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.58 HG22 ' O ' ' B' ' 98' ' ' LYS . 94.6 t -62.19 -35.06 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.687 0.28 . . . . 0.0 110.827 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -56.15 -30.43 62.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.538 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.433 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.2 m-85 -74.6 -47.02 34.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.64 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.28 -29.39 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.34 -32.44 73.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 73.2 p -83.35 -9.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.748 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.458 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 80.5 mt -102.62 0.47 33.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -85.77 165.9 16.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.895 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -54.66 112.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.558 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.16 25.19 7.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.89 -152.99 25.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.964 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.2 pt -107.99 -49.3 7.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.759 0.314 . . . . 0.0 111.462 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -121.57 46.22 2.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.458 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -82.18 142.75 31.92 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.913 -171.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.482 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.1 m120 -118.06 135.05 54.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.582 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 0.3 OUTLIER -57.65 -30.74 65.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.344 178.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' B' ' 122' ' ' PHE . . . -70.25 -27.19 64.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' B' ' 116' ' ' ASN . 32.2 mm -79.86 -41.84 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 109.935 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.3 tp10 -59.87 -51.0 71.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 44.1 mm-40 -65.21 -35.87 82.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.407 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' B' ' 118' ' ' ALA . 57.8 t80 -54.46 -52.62 61.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.09 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . 0.402 ' HA ' HD13 ' A' ' 12' ' ' LEU . 65.2 m -56.81 -45.6 82.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.765 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 65.6 mm-40 -67.87 -53.75 24.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.59 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.19 -39.58 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.299 0.571 . . . . 0.0 110.841 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 12' ' ' LEU . 1.9 tm? -75.79 -59.98 2.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.704 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.462 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.7 pp -59.11 -30.59 68.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 -175.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.5 t70 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.36 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.433 ' HB2' HG12 ' B' ' 53' ' ' ILE . 59.8 mmtt -81.83 -29.82 32.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.15 -23.9 62.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.259 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -94.19 -10.11 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.675 174.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.098 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.897 0.379 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.716 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.4 p30 -65.41 -37.34 86.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.024 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -62.6 -37.13 85.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.215 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.99 -44.09 90.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 60.2 mt -55.86 -43.55 77.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.849 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 83.3 mt -62.26 -50.68 70.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.261 -173.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 18.9 m-20 -68.2 -24.58 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 110.831 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.0 t80 -67.06 -56.17 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.696 175.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 ' HA ' HD11 ' A' ' 19' ' ' LEU . 65.5 mt -54.38 -40.17 47.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.704 0.764 . . . . 0.0 110.212 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 63.2 ttt180 -58.46 -47.95 82.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.707 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 71.6 mt-10 -68.14 -33.75 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.326 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.573 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 89.9 mt -58.99 -51.46 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.258 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 -27.4 73.42 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.203 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 17.2 m -102.27 -11.37 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 23.5 18.43 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.537 -0.84 . . . . 0.0 113.39 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.537 HD22 ' H ' ' B' ' 43' ' ' LYS . 88.6 mt -95.42 -25.31 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.754 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.573 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 3.1 tm? -85.95 -24.12 26.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.784 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.66 139.28 16.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.44 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -142.92 176.25 9.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -153.19 121.01 6.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 75.5 mt -106.71 159.78 15.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.553 -178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.609 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -113.71 174.64 5.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -54.8 -33.98 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.32 -54.23 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.098 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' HG2' ' H ' ' A' ' 30' ' ' SER . 1.9 pm0 -70.62 -18.91 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.41 -28.59 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.441 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.85 -33.93 74.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.172 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.3 -21.81 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.948 0.404 . . . . 0.0 111.497 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' B' ' 71' ' ' PHE . 59.1 mt . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.924 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.537 ' H ' HD22 ' A' ' 24' ' ' LEU . 43.6 mmtt . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.61 0.719 . . . . 0.0 111.62 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.406 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.47 161.34 36.61 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.398 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.469 HD23 HD22 ' A' ' 19' ' ' LEU . 21.8 mt -73.45 173.84 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.515 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -90.69 -49.22 6.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.6 m -91.24 129.82 37.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.236 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -68.2 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.763 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 -8.75 35.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.426 . . . . 0.0 111.033 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.21 -42.34 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.3 t70 -57.76 -36.24 71.84 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.023 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -53.42 -46.41 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.21 -42.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.01 -31.51 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.009 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 66.7 mm-40 -89.14 -18.52 27.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.983 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -112.16 31.58 6.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -176.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.2 m -146.6 85.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.278 0.561 . . . . 0.0 111.198 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.58 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.29 -19.48 61.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.193 0.521 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -84.2 -44.39 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.71 -29.52 62.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.086 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.01 -21.47 56.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.749 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 mt -75.98 -29.15 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.165 0.507 . . . . 0.0 109.955 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 2.39 23.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.963 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -85.05 -18.04 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.426 . . . . 0.0 110.095 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.15 129.95 37.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.44 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 92.4 m-20 -73.05 -23.24 60.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.599 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -71.77 -30.8 65.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.847 0.832 . . . . 0.0 109.661 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' B' ' 118' ' ' ALA . 60.7 t -74.54 -59.43 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.267 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -54.32 -36.08 63.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.668 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.457 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 48.5 t80 -55.59 -52.09 64.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.112 0.482 . . . . 0.0 111.05 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -72.76 -29.38 63.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.244 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.617 ' O ' HG23 ' B' ' 76' ' ' VAL . 89.4 mt -72.93 -36.82 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -67.84 -31.27 70.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.936 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 14.5 mmmm -56.05 -34.73 66.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 176.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 73' ' ' LEU . 1.5 m -84.01 -33.33 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.231 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.3 t80 -60.27 -40.75 91.5 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 81.9 mtt180 -60.6 -29.97 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.257 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -73.04 -48.65 43.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.624 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.599 HD22 ' O ' ' B' ' 76' ' ' VAL . 0.7 OUTLIER -62.48 -15.15 48.39 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.049 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.118 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -62.92 -32.5 73.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.69 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.591 ' O ' HG21 ' B' ' 102' ' ' VAL . 1.7 mptm? -55.86 -44.15 77.8 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.9 -53.93 52.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.159 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' B' ' 103' ' ' ASN . 4.3 mm? -60.44 -37.98 82.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.873 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.21 85.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.729 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.591 HG21 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.26 -32.81 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.547 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 100' ' ' LEU . 16.8 m-80 -55.75 -29.41 59.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.2 m-85 -81.2 -44.44 17.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.452 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.17 -33.07 71.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.756 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.42 -30.14 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.8 p -94.93 -3.63 48.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 89.1 mt -104.81 -17.87 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.367 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -83.02 172.45 12.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.858 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.19 134.96 56.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.13 35.27 24.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.32 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.42 -159.54 18.59 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.3 pt -100.4 -47.0 11.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 111.641 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -127.05 47.09 2.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.6 p90 -78.93 151.34 31.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.57 -169.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.502 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.9 m120 -119.87 130.89 55.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 8.5 pt-20 -62.94 -23.28 67.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.753 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.44 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -72.34 -30.59 64.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.784 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.502 HG12 ' HB2' ' B' ' 116' ' ' ASN . 25.3 mm -71.15 -41.12 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 10.6 tp10 -58.13 -50.86 72.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.868 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 20.3 mm-40 -59.98 -43.23 95.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.438 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.35 -54.51 35.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.399 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.28 -50.09 74.01 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 76.7 mm-40 -64.34 -54.27 35.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.757 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.03 -42.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.699 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 15' ' ' PHE . 45.3 tp -71.47 -53.96 12.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.771 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.416 HD11 ' C ' ' B' ' 127' ' ' LEU . 2.6 pp -65.0 -27.87 69.12 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.376 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.56 -44.77 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.381 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -80.94 -31.45 34.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.008 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.34 -26.55 66.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.447 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -90.41 -16.42 29.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.295 0.569 . . . . 0.0 111.124 -179.205 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.615 ' O ' HD11 ' A' ' 12' ' ' LEU . 6.0 pt-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.486 0.184 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.798 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 20.9 m-80 -61.04 -35.95 78.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -60.0 -51.27 70.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.698 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.8 -43.97 90.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 176.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 8' ' ' GLU . 7.3 mp -55.06 -44.33 74.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.249 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 79.9 mt -59.48 -53.73 54.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.576 -177.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -66.14 -28.89 69.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.6 t80 -64.9 -54.58 28.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.863 175.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.35 -36.33 63.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.246 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.5 ttt180 -62.88 -46.31 88.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.668 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -64.77 -35.15 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.285 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 86.1 mt -53.25 -51.07 63.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.982 0.42 . . . . 0.0 110.604 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.72 -25.74 74.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.197 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.25 -30.25 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.892 0.346 . . . . 0.0 111.698 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 24' ' ' LEU . 3.2 m -102.08 -22.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.807 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.6 38.2 1.34 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.814 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD11 HG22 ' A' ' 22' ' ' VAL . 5.1 mp -106.05 -30.99 8.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.052 -0.574 . . . . 0.0 109.976 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 20.5 tp -94.3 -1.4 53.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.6 136.31 57.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.157 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 43.9 p90 -142.88 176.54 8.99 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.406 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -161.41 108.63 1.44 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -82.83 134.83 35.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.793 -171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -91.69 173.07 8.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.58 -40.46 68.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.668 0.271 . . . . 0.0 111.473 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.337 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.4 mm-40 -66.26 -28.72 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.466 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -80.29 -28.01 38.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.23 -32.01 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.28 -24.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 0.0 111.447 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.9 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.406 -176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.53 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 1.8 mptt . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.415 HG22 ' NE2' ' B' ' 55' ' ' GLN . 2.4 p -108.0 162.2 14.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.83 0.348 . . . . 0.0 111.432 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 19' ' ' LEU . 44.7 mt -79.35 173.38 12.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.743 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -96.24 -32.66 12.32 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.129 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -91.66 125.47 36.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.712 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -61.14 -40.32 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.423 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.58 74.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.02 0.438 . . . . 0.0 110.762 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.407 ' C ' HD11 ' B' ' 45' ' ' LEU . 3.1 m-85 -80.34 -44.68 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.656 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 38.5 t70 -58.71 -38.67 78.82 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.404 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.97 -53.11 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.824 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.43 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.3 mt -65.67 -42.03 91.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.408 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 75.3 t80 -58.56 -33.56 70.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.396 . . . . 0.0 110.95 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 60.6 mm-40 -88.93 -32.61 17.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.22 -18.16 40.22 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.5 m -114.19 93.83 4.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.521 0.677 . . . . 0.0 110.431 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.9 58.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.039 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.29 -20.08 55.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 109.741 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.32 -35.75 40.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -66.41 -40.87 89.85 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.63 -23.45 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.924 0.393 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 69' ' ' VAL . 78.9 mt -71.11 -30.97 67.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.695 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.6 9.35 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -89.22 -18.45 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.007 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.554 ' O ' HG22 ' B' ' 69' ' ' VAL . 67.6 m-85 -89.57 118.85 29.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 109.907 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.93 -35.5 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.745 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.7 m -60.41 -41.64 94.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.758 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.554 HG22 ' O ' ' B' ' 66' ' ' TYR . 2.9 m -82.42 -38.89 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.146 -174.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.483 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 ttpt -70.07 -30.14 67.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.091 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -58.38 -48.09 81.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 173.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -70.11 -34.66 73.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.178 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.64 ' O ' HG21 ' B' ' 76' ' ' VAL . 94.0 mt -69.14 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' HE1' ' A' ' 27' ' ' TYR . . . -68.72 -28.83 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.763 0.316 . . . . 0.0 110.952 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -64.73 -33.75 76.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.64 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.4 m -79.27 -32.52 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.9 t80 -60.45 -36.19 77.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.063 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -58.86 -41.86 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.391 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.83 -49.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.128 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.2 mm? -65.73 -12.5 54.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.01 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.428 HD11 ' C ' ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.613 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.35 -28.52 69.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.61 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.3 mptm? -57.89 -31.97 67.26 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -58.83 3.1 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.82 -36.27 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.131 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.62 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.051 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 98' ' ' LYS . 93.6 t -61.68 -33.1 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -62.32 -23.75 66.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.431 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.0 m-85 -82.23 -40.62 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 110.386 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -62.84 -31.07 72.01 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.263 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.24 -40.1 92.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.68 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.4 p -78.29 -9.87 59.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 82.5 mt -102.86 -14.99 16.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.459 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 30.5 mtp180 -88.55 172.82 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.258 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -55.33 133.14 49.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.179 0.514 . . . . 0.0 111.604 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.38 10.74 67.7 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.438 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.52 -174.28 45.94 Favored Glycine 0 N--CA 1.435 -1.406 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.498 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 26.3 pt -88.18 -46.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.43 46.83 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.1 p90 -77.14 150.21 35.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.273 -171.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -123.85 132.5 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.693 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.68 -29.47 70.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 -171.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.482 ' HB2' HG13 ' B' ' 69' ' ' VAL . . . -71.87 -34.04 68.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.273 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' B' ' 108' ' ' LEU . 46.1 mm -68.6 -39.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.049 0.452 . . . . 0.0 109.792 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.39 -52.77 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.4 -38.93 93.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.648 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -53.71 -53.05 57.55 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.762 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 44.4 t -56.7 -47.61 79.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.726 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 86.5 mm-40 -65.65 -52.9 48.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.895 -174.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.92 -42.49 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.08 0.467 . . . . 0.0 110.887 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 15' ' ' PHE . 43.0 tp -69.49 -54.39 14.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.677 -175.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.77 -27.73 69.5 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.964 0.412 . . . . 0.0 109.957 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.9 t70 -56.54 -42.43 78.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.473 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.43 ' CB ' HG12 ' B' ' 53' ' ' ILE . 62.0 mmtt -90.66 -31.21 16.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.571 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' B' ' 126' ' ' LEU . 57.6 mt -64.52 -29.92 70.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.251 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -90.76 -12.83 35.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.801 0.334 . . . . 0.0 110.732 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.577 -177.461 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.552 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.266 0.079 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.728 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.2 p30 -58.06 -36.51 72.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.173 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.6 m -60.66 -33.78 73.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.253 0.549 . . . . 0.0 110.514 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -78.92 -40.3 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.045 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 8' ' ' GLU . 8.0 mp -52.7 -51.54 59.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.302 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 46.4 mt -55.89 -53.48 56.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.373 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.93 -27.15 62.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.681 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.81 -58.65 5.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.885 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.72 -37.14 38.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.211 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.6 ttt180 -58.91 -42.42 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.261 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -68.47 -36.94 79.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.461 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.03 -51.36 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.49 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.22 73.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.01 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.26 -40.72 81.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.764 0.282 . . . . 0.0 111.285 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 HG13 ' HD3' ' B' ' 46' ' ' LYS . 8.8 m -95.95 -16.52 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.002 0.429 . . . . 0.0 111.187 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.55 37.22 4.06 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.968 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD23 ' H ' ' B' ' 43' ' ' LYS . 86.9 mt -97.83 -13.03 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.492 . . . . 0.0 110.207 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' B' ' 73' ' ' LEU . 50.1 tp -102.41 -9.46 20.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.18 136.19 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.908 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -140.93 176.52 8.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.95 127.08 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.222 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.19 146.43 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.087 0.47 . . . . 0.0 111.649 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -87.59 169.69 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.548 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -52.76 -45.38 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.659 0.266 . . . . 0.0 111.332 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.48 -44.14 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.473 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 mt-10 -64.12 -33.74 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.579 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.1 -31.48 61.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 110.236 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.56 -29.76 63.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.358 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.11 -26.82 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.7 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.476 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -107.28 168.71 9.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.79 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 38.6 mt -76.87 -177.64 4.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.061 0.457 . . . . 0.0 111.755 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.437 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.5 mmmm -86.33 -45.38 11.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 51.0 m -97.21 131.76 43.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.993 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -68.9 -32.85 72.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.845 0.355 . . . . 0.0 110.45 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.01 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.24 -44.45 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.71 -35.18 65.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.8 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.12 -51.01 57.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.804 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.486 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -66.8 -40.88 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CE2' HD12 ' A' ' 24' ' ' LEU . 79.9 t80 -61.81 -29.46 70.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.3 mm-40 -91.97 -29.8 16.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -96.17 -9.89 29.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.3 m -118.73 85.87 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.225 0.535 . . . . 0.0 110.379 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.772 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' B' ' 59' ' ' GLU . 6.1 pt-20 -69.26 -25.04 64.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.892 176.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -84.31 -35.79 23.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.234 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.16 -35.61 69.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.792 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.61 -27.35 68.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.413 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.13 -31.01 65.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.994 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.85 -11.62 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.137 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.96 -33.85 75.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.074 0.464 . . . . 0.0 110.095 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -70.41 129.67 39.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.991 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -76.1 -19.34 58.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.213 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 94.3 m -70.11 -34.51 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.769 0.795 . . . . 0.0 109.317 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' B' ' 73' ' ' LEU . 76.3 t -69.61 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.679 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -51.16 -39.57 56.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.379 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.501 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 57.8 t80 -56.67 -52.52 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 111.32 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -66.54 -37.76 85.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.608 ' O ' HG22 ' B' ' 76' ' ' VAL . 73.7 mt -69.68 -37.79 76.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.819 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.79 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.783 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 53.6 mtpt -65.27 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.608 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -76.76 -30.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.274 -0.571 . . . . 0.0 109.657 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 25.2 t80 -60.86 -38.03 84.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.365 175.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 53.4 mtm180 -62.86 -23.97 67.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.265 0.555 . . . . 0.0 110.58 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -78.48 -44.01 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.888 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.92 -19.32 62.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.048 0.452 . . . . 0.0 110.297 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.522 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.78 -23.67 67.34 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.508 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.7 mptt -53.0 -45.91 68.11 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.43 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.64 -50.62 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.14 -34.85 79.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.402 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -64.96 -49.06 71.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 98' ' ' LYS . 60.4 t -62.24 -35.36 68.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.662 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -54.68 -33.52 60.96 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.472 ' O ' HD22 ' B' ' 108' ' ' LEU . 5.7 m-85 -72.99 -50.88 20.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.62 -24.29 67.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.895 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -71.79 -17.71 62.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.406 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.8 p -96.64 -11.58 25.04 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.483 ' HB3' HG22 ' B' ' 119' ' ' ILE . 4.6 mm? -95.07 -5.65 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.51 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -73.87 150.78 40.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.507 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.11 125.13 19.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.11 33.87 11.49 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.487 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.84 -151.66 16.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.833 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 pt -107.91 -46.46 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -126.61 46.32 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.934 0.397 . . . . 0.0 110.258 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 5.7 p90 -83.98 142.87 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.493 -176.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -105.49 149.22 26.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.866 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.65 -34.47 77.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.724 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.422 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -77.36 -25.79 51.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' B' ' 108' ' ' LEU . 29.9 mm -77.82 -36.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.05 -50.29 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -66.18 -42.41 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -51.1 -58.37 6.29 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.759 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.4 m -54.86 -46.4 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.794 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.595 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 81.6 mm-40 -65.27 -52.52 53.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.675 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' B' ' 59' ' ' GLU . 94.2 mt -62.68 -42.13 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 111.128 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.95 -60.4 2.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.19 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.06 -29.22 67.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.151 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 24.0 t70 -57.78 -50.03 74.62 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.486 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.6 mmtp -79.47 -25.95 41.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.773 -175.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 11' ' ' GLN . 85.5 mt -70.36 -39.85 74.41 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.536 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -79.97 -3.13 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 0.0 110.11 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.552 178.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 pm0 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.732 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 45.7 m-80 -60.8 -46.56 90.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.07 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -51.97 -41.49 62.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.902 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' B' ' 130' ' ' LEU . 14.2 mm100 -74.76 -38.75 62.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 97.7 mt -59.38 -46.86 87.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.905 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 60.5 mt -55.56 -57.08 13.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.725 -175.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.4 m-20 -67.37 -29.32 68.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD1' HD21 ' B' ' 126' ' ' LEU . 41.6 t80 -65.02 -58.41 6.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -55.84 -37.11 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.548 0.69 . . . . 0.0 110.205 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 61.6 ttt180 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.006 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 62.3 mt-10 -66.95 -35.24 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.207 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 10.9 mp -57.69 -50.05 74.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.09 78.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.665 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.51 -29.63 68.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.627 0.251 . . . . 0.0 111.666 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 18' ' ' GLU . 27.9 m -104.35 -1.28 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 111.033 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 35.96 15.28 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.503 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' HG2' ' B' ' 43' ' ' LYS . 81.8 mt -107.08 -5.02 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 111.126 175.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 tp -105.8 -13.9 15.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.82 138.55 54.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.529 0.68 . . . . 0.0 111.049 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -134.84 177.62 7.65 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.39 -170.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -142.22 114.56 8.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.48 134.34 41.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.046 0.451 . . . . 0.0 111.867 -174.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -86.97 172.88 9.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.416 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -56.01 -43.87 78.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 0.0 111.198 -177.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.68 -43.63 92.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.426 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 40.2 mt-10 -66.63 -28.37 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.454 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.93 -33.85 59.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.26 -33.23 72.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.33 -23.42 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.531 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.5 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.401 . . . . 0.0 111.339 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.468 ' HG2' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.311 0.577 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -120.22 177.82 4.87 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.312 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 mt -74.23 -178.05 3.25 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 111.144 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -95.06 -41.79 8.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.724 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -92.05 124.43 36.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.413 173.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 46.9 tptt -66.31 -33.87 76.71 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.915 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.611 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.35 -44.46 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -54.02 -36.28 62.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.069 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.95 -52.83 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.288 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.8 mp -64.81 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.755 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -60.6 -32.76 71.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.7 mm-40 -87.98 -17.36 31.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.738 0.304 . . . . 0.0 110.898 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -112.53 32.93 5.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -146.94 81.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.189 0.518 . . . . 0.0 110.831 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.571 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 8.2 pt-20 -72.34 -19.49 61.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.441 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -84.28 -46.64 11.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.994 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.18 -27.73 67.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.174 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.571 ' OE2' ' HA ' ' B' ' 59' ' ' GLU . 12.3 pt-20 -74.82 -26.91 60.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.88 -29.23 58.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.374 0.606 . . . . 0.0 109.411 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 75.2 mt -79.85 15.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -99.47 -17.87 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.227 0.536 . . . . 0.0 109.814 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -89.48 123.58 33.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.843 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -69.08 -19.33 64.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.3 m -68.04 -46.31 71.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.855 0.836 . . . . 0.0 108.948 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.414 HG23 ' HB1' ' B' ' 118' ' ' ALA . 58.1 t -62.65 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.439 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 51.8 mtpt -56.11 -33.68 65.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.526 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 63.7 t80 -63.52 -52.85 59.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.816 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -67.57 -30.36 69.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.773 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.584 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.1 mt -73.85 -38.64 64.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.33 -30.34 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.978 0.418 . . . . 0.0 110.175 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 30.1 mmmt -57.91 -41.45 82.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.073 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.3 m -77.28 -32.56 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.216 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 14.1 t80 -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.504 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 88.3 mtt180 -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.561 . . . . 0.0 110.529 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 75' ' ' LYS . 64.4 mt -70.91 -46.32 68.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.96 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -68.78 -22.82 64.26 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.128 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.438 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.427 ' C ' HD13 ' B' ' 96' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -59.81 -33.58 71.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.55 ' O ' HG22 ' B' ' 102' ' ' VAL . 56.1 mttt -61.13 -31.16 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.88 -52.57 55.85 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.255 0.55 . . . . 0.0 109.582 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.02 -32.24 72.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.347 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.61 -51.3 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.55 HG22 ' O ' ' B' ' 98' ' ' LYS . 66.0 t -60.39 -36.53 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.723 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -52.56 -40.4 62.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.96 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.557 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.3 m-85 -68.3 -47.06 68.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.4 -31.95 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.692 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.42 -44.88 95.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.057 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -76.97 -10.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.0 mt -101.37 -2.83 29.99 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -105.54 -177.79 3.47 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.636 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -48.14 132.14 15.86 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.226 0.536 . . . . 0.0 111.963 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.78 33.99 57.0 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.526 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.24 -149.01 24.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.877 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.24 -46.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.857 0.36 . . . . 0.0 110.605 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.92 38.41 3.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.538 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 1.4 p90 -80.18 146.48 31.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.874 -172.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.58 147.16 47.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.7 -27.95 69.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' B' ' 69' ' ' VAL . . . -72.86 -35.35 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.638 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -70.94 -39.07 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 42.1 tt0 -58.94 -49.9 76.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.27 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.1 -43.05 99.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.703 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.42 -57.54 8.71 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.475 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 26.4 p -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.053 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 81.8 mm-40 -67.13 -51.68 50.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.543 0.211 . . . . 0.0 111.32 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.429 HG21 ' HG3' ' B' ' 59' ' ' GLU . 75.0 mt -58.94 -44.68 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.389 0.614 . . . . 0.0 110.469 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 15' ' ' PHE . 32.8 tp -70.09 -50.75 37.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.782 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.3 pp -65.81 -27.11 68.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.337 -175.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.82 -45.9 78.21 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.243 0.544 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.9 mmtt -85.29 -29.82 24.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.556 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 11' ' ' GLN . 79.3 mt -70.99 -24.97 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.25 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.31 -4.0 39.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.765 0.317 . . . . 0.0 110.626 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.314 0.578 . . . . 0.0 110.83 179.63 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.5 pt-20 . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.792 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 44.3 m-80 -72.56 -32.99 66.49 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.036 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -58.83 -40.58 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.22 -43.04 99.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.101 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 59.7 mt -58.86 -51.03 71.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.809 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.0 mt -56.31 -54.34 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.331 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 6.0 m-20 -70.88 -24.41 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.276 -176.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.462 ' CE1' HD22 ' B' ' 126' ' ' LEU . 61.2 t80 -67.58 -52.1 42.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.183 0.516 . . . . 0.0 109.729 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.5 -35.65 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.246 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 44.5 ttt180 -63.68 -46.97 83.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.238 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 45.8 mt-10 -70.73 -31.91 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.173 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.55 -54.54 39.84 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.779 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -70.73 -24.13 77.22 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.78 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.65 -35.03 76.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.726 0.298 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 18' ' ' GLU . 11.8 m -94.51 -12.45 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 110.485 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 96.23 21.9 21.27 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.237 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' B' ' 54' ' ' TYR . 87.6 mt -82.91 -11.61 58.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.741 0.781 . . . . 0.0 109.861 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' B' ' 73' ' ' LEU . 45.1 tp -104.92 -18.14 14.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.9 pt-20 -67.26 136.27 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 110.137 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 71' ' ' PHE . 33.8 p90 -139.04 177.23 8.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.736 -172.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -142.86 106.57 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.13 140.77 29.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.72 -172.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -87.33 167.64 13.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.479 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -50.61 -44.94 57.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.573 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.23 -40.44 86.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 41.8 mt-10 -66.99 -27.7 67.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -27.55 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.239 0.542 . . . . 0.0 109.937 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.5 -36.05 73.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.287 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 m -80.94 -24.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.908 0.385 . . . . 0.0 111.511 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 0.0 111.429 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.547 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.098 0.475 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.06 171.05 7.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.77 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 41.7 mt -83.83 174.35 10.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 110.648 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -92.36 -48.74 6.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.171 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 62.7 m -77.66 123.49 26.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.557 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.82 -39.14 90.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.076 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.91 -15.38 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.336 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.79 -40.43 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.298 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -58.9 -38.45 78.91 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.707 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -50.35 -51.73 43.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.08 -40.41 85.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.076 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.427 ' CE2' HD13 ' A' ' 24' ' ' LEU . 73.6 t80 -60.2 -30.53 69.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.5 mm-40 -90.66 -20.76 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.385 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -104.44 -5.72 21.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -111.39 83.03 1.7 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.572 0.701 . . . . 0.0 110.313 178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.28 -22.22 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.663 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.639 ' HA ' ' OE1' ' B' ' 62' ' ' GLU . 2.0 pm0 -74.92 -19.81 59.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.449 0.642 . . . . 0.0 109.473 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.19 -48.68 9.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.189 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -61.46 -24.57 66.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.639 ' OE1' ' HA ' ' B' ' 59' ' ' GLU . 10.6 pt-20 -72.24 -20.11 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.977 0.418 . . . . 0.0 109.878 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.98 -34.61 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.6 7.56 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.638 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -89.19 -12.07 41.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.212 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.606 ' O ' HG23 ' B' ' 69' ' ' VAL . 91.4 m-85 -95.13 116.8 29.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -62.42 -27.14 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -36.85 83.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.147 0.499 . . . . 0.0 110.849 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 66' ' ' TYR . 1.8 m -81.87 -39.67 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 26.1 mtpp -62.68 -36.09 81.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.935 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.488 ' CG ' HD13 ' A' ' 37' ' ' LEU . 58.6 t80 -57.11 -51.79 67.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.892 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -70.27 -29.56 66.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.224 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.559 ' O ' HG23 ' B' ' 76' ' ' VAL . 92.9 mt -72.77 -37.59 67.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.395 176.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.02 -31.18 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.6 mmmt -58.9 -41.78 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.757 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 73' ' ' LEU . 3.1 m -79.6 -32.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.281 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.3 t80 -56.56 -40.78 75.76 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.404 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 45.4 mtp180 -63.11 -35.73 81.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.6 -49.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.126 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.87 -20.72 62.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.647 0.26 . . . . 0.0 111.544 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 178.81 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.654 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -71.88 -30.94 65.93 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.103 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.592 ' O ' HG22 ' B' ' 102' ' ' VAL . 1.9 mptm? -56.11 -41.92 76.03 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.261 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.18 -57.0 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.89 -31.12 70.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.334 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.413 ' HB2' HD22 ' A' ' 13' ' ' LEU . . . -67.38 -46.24 73.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.606 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.592 HG22 ' O ' ' B' ' 98' ' ' LYS . 87.3 t -60.48 -30.68 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 110.624 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.38 -30.78 71.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.257 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.7 m-85 -80.33 -41.79 24.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.586 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.43 -30.12 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -68.54 -26.91 65.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.488 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -89.5 -6.26 56.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.397 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.514 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 82.3 mt -103.8 -3.05 25.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.694 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -96.27 159.34 15.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.494 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 63.7 t80 -48.56 130.37 17.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 111.645 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.14 58.08 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.995 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.8 -151.1 15.95 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.249 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.47 -40.67 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.687 0.279 . . . . 0.0 111.421 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -133.52 42.65 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.514 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 2.5 p90 -74.58 151.39 39.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.545 -172.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.435 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.8 m120 -112.88 136.95 51.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.153 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.2 OUTLIER -60.9 -29.54 69.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.737 178.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.478 ' HB1' ' CG1' ' B' ' 69' ' ' VAL . . . -77.54 -44.13 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.701 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' B' ' 116' ' ' ASN . 42.6 mm -60.43 -36.53 70.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 110.559 176.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 43.5 tt0 -58.58 -40.18 82.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.759 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.452 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -49.96 -60.64 2.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.4 p -56.11 -44.16 78.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.625 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.554 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 75.7 mm-40 -64.99 -53.01 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.781 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.0 -41.37 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.204 0.526 . . . . 0.0 111.116 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.462 HD22 ' CE1' ' A' ' 15' ' ' PHE . 1.3 tm? -69.74 -59.14 3.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.279 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.4 pp -59.41 -30.13 68.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.315 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 19.7 t70 -55.63 -54.0 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.27 -35.23 71.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.79 -15.76 62.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.769 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -102.93 -15.5 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.115 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.376 0.607 . . . . 0.0 110.736 179.428 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.636 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 111.039 0.015 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.74 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -58.13 -32.78 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.143 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.86 -42.02 99.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.085 0.469 . . . . 0.0 110.017 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 11' ' ' GLN . 12.3 mt-30 -75.11 -36.01 61.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.484 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 8' ' ' GLU . 4.4 mp -54.54 -45.14 73.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.869 176.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.7 mt -61.1 -48.9 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.415 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.25 -30.97 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.395 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.4 t80 -64.03 -53.89 42.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.893 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 12' ' ' LEU . 85.1 mt -56.77 -40.8 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.843 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -61.93 -41.97 98.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.294 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.38 -33.65 75.64 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.0 mt -56.72 -52.04 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 110.618 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.89 -15.98 72.07 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.536 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -80.01 -30.37 39.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.557 0.218 . . . . 0.0 111.032 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 24' ' ' LEU . 4.1 m -102.09 -21.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.645 0.26 . . . . 0.0 111.486 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.63 20.57 4.58 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.87 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD13 HG21 ' A' ' 22' ' ' VAL . 4.4 mp -91.46 -27.35 18.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.865 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' B' ' 73' ' ' LEU . 47.8 tp -93.21 -14.55 26.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.368 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.99 139.99 57.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.336 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 45.9 p90 -143.91 175.14 10.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.731 -173.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -145.14 110.35 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.49 131.01 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -84.09 175.72 9.3 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.595 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.1 OUTLIER -61.56 -38.3 86.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.103 -178.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -61.7 -41.5 97.68 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.887 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.1 mt-10 -74.25 -32.54 63.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.496 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.96 -27.16 60.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.299 0.571 . . . . 0.0 109.919 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.7 -38.06 80.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.035 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 m -84.31 -23.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.457 -177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 68.3 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.677 0.275 . . . . 0.0 111.604 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.597 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -112.24 161.04 17.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.483 HD23 HD23 ' A' ' 19' ' ' LEU . 44.5 mt -78.38 175.25 10.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.692 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -97.48 -37.87 9.81 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.517 -173.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.5 m -85.05 122.5 29.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -63.62 -34.9 78.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.334 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.37 79.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -79.11 -45.3 20.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.067 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.8 t70 -57.06 -34.88 68.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.57 -53.98 26.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.109 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.9 mp -65.94 -40.25 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.91 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.474 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 74.5 t80 -60.23 -39.61 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.081 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' B' ' 54' ' ' TYR . 56.4 mm-40 -83.84 -19.43 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 110.563 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.6 24.35 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.118 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -146.74 97.82 2.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.051 0.453 . . . . 0.0 110.741 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.99 61.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 35.8 mm-40 -70.53 -38.95 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.159 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.88 -33.47 62.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.479 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 18.6 tp60 -65.99 -43.23 88.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.357 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.7 pt-20 -62.72 -34.91 78.15 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.287 -173.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.09 -36.33 83.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.98 10.6 9.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 32.0 mmmt -100.07 -3.86 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -105.69 136.33 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.051 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -74.08 -20.91 60.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.515 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 88.1 m -71.01 -43.8 67.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.856 0.836 . . . . 0.0 109.758 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.51 -55.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.022 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 55.7 mtmt -56.3 -37.92 70.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.956 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -57.55 -52.42 65.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.0 111.118 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -70.62 -27.33 63.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.363 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.6 ' O ' HG21 ' B' ' 76' ' ' VAL . 92.9 mt -77.6 -34.04 53.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.819 0.342 . . . . 0.0 110.744 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.49 -26.82 68.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.791 177.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.64 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.6 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -84.38 -31.5 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.183 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.3 t80 -58.81 -40.49 84.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.954 0.407 . . . . 0.0 110.405 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 76.1 mtt180 -62.3 -28.82 70.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.665 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.09 -56.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.902 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.489 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -57.62 -30.61 65.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.433 -178.03 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.521 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -59.75 -35.55 74.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.29 178.518 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.572 ' O ' HG21 ' B' ' 102' ' ' VAL . 12.8 mptt -48.47 -57.11 6.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.262 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -55.36 -55.89 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.14 -38.11 75.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.07 66.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.572 HG21 ' O ' ' B' ' 98' ' ' LYS . 49.1 t -63.53 -31.79 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.808 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.414 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 14.7 m-80 -62.51 -22.59 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.802 178.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.37 -40.21 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.61 -26.81 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.669 0.271 . . . . 0.0 110.477 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 14.2 m120 -61.95 -24.64 67.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.403 ' HB ' HG12 ' B' ' 113' ' ' ILE . 32.4 p -99.01 -2.49 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.55 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.6 mt -116.52 -31.98 5.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.637 HH21 ' NE2' ' B' ' 124' ' ' GLN . 74.1 ttt180 -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.774 -170.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -125.43 119.6 28.71 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.877 -174.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.23 55.82 27.19 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.655 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.76 -168.98 23.45 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.112 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' B' ' 107' ' ' THR . 13.5 pt -103.1 -33.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.249 0.547 . . . . 0.0 110.768 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.67 41.31 3.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -80.7 138.74 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.131 -169.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.528 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.9 m120 -113.2 137.25 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.622 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 15.0 pt-20 -60.68 -25.48 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.404 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.127 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.528 HG12 ' HB2' ' B' ' 116' ' ' ASN . 43.9 mm -72.04 -37.63 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 8.9 tp10 -65.24 -46.88 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.605 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 21.9 mm-40 -56.38 -45.11 80.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.96 -56.58 16.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.456 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.04 -46.47 89.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.138 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.637 ' NE2' HH21 ' B' ' 109' ' ' ARG . 79.0 mm-40 -63.12 -53.91 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.715 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 15' ' ' PHE . 42.3 tp -68.89 -49.05 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.445 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.62 -30.12 70.79 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.198 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -54.37 -46.95 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.693 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HB2' HG12 ' B' ' 53' ' ' ILE . 33.8 mmtp -84.61 -25.24 28.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.901 -177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 72.5 mt -72.49 -25.63 61.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.0 110.712 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -14.83 54.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 109.857 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.96 -177.521 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.4 pt-20 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.088 0.471 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.726 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 p30 -69.51 -36.06 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.325 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -57.6 -34.17 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.09 0.471 . . . . 0.0 110.304 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -77.56 -40.18 43.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.296 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 95.4 mt -55.91 -46.92 78.29 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.028 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.0 mt -58.92 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.482 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -29.45 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' B' ' 126' ' ' LEU . 50.1 t80 -69.47 -53.17 20.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.195 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.67 -39.96 57.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.391 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 77.8 ttt180 -61.16 -44.59 97.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' HG21 ' A' ' 22' ' ' VAL . 56.1 mt-10 -64.82 -35.17 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.285 177.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 HD22 ' B' ' 45' ' ' LEU . 74.5 mt -57.74 -52.99 63.2 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.192 0.52 . . . . 0.0 110.281 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -23.72 77.8 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.828 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.92 -30.22 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.824 0.312 . . . . 0.0 111.384 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 18' ' ' GLU . 29.3 m -98.55 -20.25 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.748 0.309 . . . . 0.0 110.936 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.3 28.11 5.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.441 -0.885 . . . . 0.0 113.395 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -96.27 -27.73 14.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.071 0.462 . . . . 0.0 110.73 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 73' ' ' LEU . 58.3 tp -86.06 -21.98 27.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.336 178.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.69 138.23 47.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.598 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 49.5 p90 -146.63 178.29 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.726 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -145.65 138.53 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -119.15 134.15 55.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m -86.26 172.06 10.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -57.97 -40.53 80.87 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.828 0.347 . . . . 0.0 110.609 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.66 -41.02 98.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 mm-40 -67.95 -32.77 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.13 -27.84 61.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.262 0.553 . . . . 0.0 110.214 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.31 -35.65 80.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.299 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.44 -21.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.8 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.589 -176.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.51 178.76 4.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.672 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.506 HD22 HD22 ' A' ' 19' ' ' LEU . 41.9 mt -75.28 173.31 11.03 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.28 0.562 . . . . 0.0 110.514 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -91.77 -36.57 13.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.27 -174.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 43.7 m -96.79 127.01 42.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.36 -36.66 84.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.215 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.31 71.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.473 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -81.85 -44.2 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.38 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.553 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 28.6 t70 -54.75 -41.07 70.0 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.096 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -51.56 -49.27 62.38 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.35 -41.64 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 110.937 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.55 -25.26 67.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 56.3 mm-40 -95.37 -39.2 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.495 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.13 -27.57 61.76 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.827 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.6 m -110.72 85.02 2.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.262 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -26.0 68.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.556 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 35.7 mt-10 -61.9 -36.33 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.045 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.27 -39.79 65.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.288 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -63.07 -42.21 99.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.609 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.7 pt-20 -68.64 -23.5 64.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -173.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 84.3 mt -70.42 -38.55 74.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.204 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.73 7.95 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.837 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -99.49 5.72 46.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.919 0.39 . . . . 0.0 110.459 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.473 ' O ' HG22 ' B' ' 69' ' ' VAL . 84.4 m-85 -105.02 119.43 38.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.46 -33.42 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.978 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.413 HG23 ' CD2' ' A' ' 37' ' ' LEU . 97.3 m -62.08 -36.11 80.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 66' ' ' TYR . 1.3 m -83.44 -38.99 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 25.8 mtpp -61.28 -40.82 95.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.819 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 42.7 t80 -55.77 -51.99 65.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.143 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -68.26 -35.81 78.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.538 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.618 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.1 mt -73.91 -34.85 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 110.998 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.22 -31.27 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.4 mtpt -63.26 -29.86 71.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.618 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -82.48 -33.33 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -60.78 -34.87 75.14 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.012 0.434 . . . . 0.0 110.129 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 23.4 mtp180 -60.71 -27.48 67.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.955 176.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -78.89 -44.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.669 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.3 mm? -69.32 -21.19 63.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.277 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.935 177.853 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.811 0 CA-C-O 121.074 0.464 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.518 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -62.07 -35.86 79.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.366 177.764 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.54 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.6 mptm? -58.99 -43.39 91.47 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.785 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.08 -52.33 66.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -36.86 78.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.779 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.03 89.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.398 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 98' ' ' LYS . 92.6 t -60.48 -37.75 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 110.63 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -61.04 -33.64 73.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.531 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.576 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.8 m-85 -72.27 -44.0 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.593 0.235 . . . . 0.0 110.482 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.666 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.59 -33.41 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 75.9 p -81.2 -11.81 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.988 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 41.5 mt -106.06 -6.63 18.55 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.404 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' B' ' 110' ' ' TYR . 30.5 ttp180 -69.26 158.24 35.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.943 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.539 ' N ' ' HG2' ' B' ' 109' ' ' ARG . 83.2 t80 -50.37 128.83 20.64 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.69 33.87 41.12 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.83 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.62 -148.72 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.1 pt -112.76 -49.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.075 0.464 . . . . 0.0 111.164 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -121.73 46.49 2.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -80.63 151.24 29.12 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.956 -171.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.32 142.82 49.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.5 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 1.3 pm0 -65.74 -26.65 67.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.287 -176.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.461 ' HB2' ' CG1' ' B' ' 69' ' ' VAL . . . -78.32 -44.01 26.37 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.289 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' B' ' 108' ' ' LEU . 43.2 mm -57.58 -41.07 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 31.2 tt0 -56.0 -56.33 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.377 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.54 -28.55 67.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.684 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 68.5 t80 -55.06 -58.71 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.519 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.1 p -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.711 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 30.4 mm-40 -70.36 -62.49 1.37 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 61.9 mt -57.86 -35.11 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.276 0.56 . . . . 0.0 110.665 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 15' ' ' PHE . 36.1 tp -72.1 -53.64 12.2 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.418 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.436 HD11 ' C ' ' B' ' 127' ' ' LEU . 1.7 pp -65.47 -29.26 69.9 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.15 -51.01 67.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.109 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -77.77 -30.72 51.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.823 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.12 -29.77 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.992 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -91.57 -13.71 31.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 0.0 110.772 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.169 0.509 . . . . 0.0 111.633 -178.335 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.3 pt-20 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 42.6 m-80 -60.7 -41.87 96.05 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.358 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -55.86 -39.85 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.583 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -73.79 -40.31 63.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 178.209 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 83.4 mt -55.85 -48.96 74.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.292 177.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 39.8 mt -53.59 -51.02 64.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.968 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -76.44 -28.65 56.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' O ' HD12 ' A' ' 19' ' ' LEU . 76.1 t80 -63.64 -54.9 28.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.04 -35.23 63.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.442 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 66.6 ttt180 -62.41 -46.1 90.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.968 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.26 -34.77 78.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.091 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 15' ' ' PHE . 6.7 mp -53.81 -58.6 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 110.722 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.34 -21.05 68.11 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.0 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.12 -33.34 59.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.884 0.342 . . . . 0.0 111.349 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 ' HG ' ' A' ' 24' ' ' LEU . 16.1 m -97.38 -19.53 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.029 0.442 . . . . 0.0 110.86 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.0 29.85 4.17 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.079 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 96.5 mt -95.64 0.53 52.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.119 0.485 . . . . 0.0 110.555 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' B' ' 74' ' ' ALA . 2.2 mt -113.94 -20.74 10.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.081 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.3 135.29 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.636 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.71 174.68 11.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.659 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.02 109.02 2.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.3 mt -83.18 135.92 34.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.463 -172.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -93.12 175.7 6.68 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.22 -41.36 68.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.791 0.329 . . . . 0.0 111.276 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.63 -33.11 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.059 0.457 . . . . 0.0 110.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -79.25 -26.48 42.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.118 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.8 mttt -81.92 -29.36 32.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.365 0.602 . . . . 0.0 109.841 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.22 -34.18 77.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.394 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -84.72 -24.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 59.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.665 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.551 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.034 0.445 . . . . 0.0 110.25 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.92 172.74 6.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.65 175.94 8.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.02 0.438 . . . . 0.0 110.969 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -95.13 -44.86 7.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.345 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 37.6 m -82.39 123.05 28.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.838 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.45 -32.52 74.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.229 -176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.49 -33.3 73.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.652 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -86.94 -40.91 14.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.24 0.543 . . . . 0.0 110.512 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -54.46 -38.21 66.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.633 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.89 -49.5 62.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.516 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -65.98 -35.22 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.497 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 35.9 t80 -61.13 -39.24 89.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.612 0.244 . . . . 0.0 110.872 -176.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.334 0.588 . . . . 0.0 110.818 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -78.37 -0.46 29.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.71 -172.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -128.72 83.66 2.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.452 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.76 -18.88 65.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.531 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.476 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -76.91 -22.49 53.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.939 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.86 -35.45 24.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -65.88 -36.54 83.7 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.45 -20.69 60.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 111.087 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.458 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -73.79 -23.8 59.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.538 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 35.3 mt -82.32 16.21 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.205 0.526 . . . . 0.0 110.808 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -101.67 10.01 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.263 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.659 ' O ' HG23 ' B' ' 69' ' ' VAL . 59.6 m-85 -109.96 114.62 28.3 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -62.44 -29.37 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.234 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 66' ' ' TYR . 3.2 m -83.35 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.605 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 58.0 mtpt -60.56 -38.91 86.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.028 0.442 . . . . 0.0 109.812 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.696 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 52.9 t80 -55.97 -52.39 64.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.612 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -71.13 -38.4 72.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 76' ' ' VAL . 85.3 mt -64.64 -48.97 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 111.066 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.61 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.696 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 51.3 mtpt -63.55 -36.77 84.87 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.699 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -75.11 -34.19 30.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 12.2 t80 -57.78 -41.2 81.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 72.3 mtp180 -58.81 -34.97 72.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.757 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 73.6 mt -64.0 -40.43 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.713 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.13 -16.64 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.942 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 172.806 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.431 HD13 HD21 ' B' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.815 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.515 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.0 mptp? -54.54 -48.75 71.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.501 173.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.14 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.721 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.431 HD21 HD13 ' B' ' 96' ' ' LEU . 4.6 mm? -61.32 -36.38 79.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.204 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 98' ' ' LYS . 78.0 t -58.28 -38.14 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.779 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.37 -36.77 71.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.72 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.517 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.8 m-85 -72.4 -43.22 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.849 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.26 -26.97 68.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.553 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.15 -34.77 73.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.214 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 78.3 p -78.48 -16.49 57.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.67 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 59.0 mt -98.58 3.09 47.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.401 HH22 ' NE2' ' B' ' 124' ' ' GLN . 2.0 tpt85 -76.27 160.03 30.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.682 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -64.38 111.67 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.41 40.88 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.032 -175.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.84 -141.1 0.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.302 -0.475 . . . . 0.0 111.948 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 pt -113.52 -43.71 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 122.558 -0.378 . . . . 0.0 111.65 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -131.78 46.03 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.5 p90 -72.91 146.76 45.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.143 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.495 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -111.41 139.64 46.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.0 -31.73 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.573 ' HB2' HG11 ' B' ' 69' ' ' VAL . . . -77.06 -28.61 54.76 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.474 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.495 HG12 ' HB2' ' B' ' 116' ' ' ASN . 33.1 mm -65.84 -41.75 90.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.1 0.476 . . . . 0.0 109.874 174.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 0.5 OUTLIER -59.78 -54.18 49.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.583 177.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.905 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.08 -58.87 6.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.304 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.6 p -61.6 -41.06 96.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 80.2 mm-40 -59.16 -62.31 1.98 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.03 0.206 . . . . 0.0 111.22 -177.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -55.29 -42.01 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.41 0.624 . . . . 0.0 111.322 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -70.98 -59.4 2.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.464 -175.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 8' ' ' GLU . 1.5 pp -58.21 -31.73 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.42 -49.25 72.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.961 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.516 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.8 mmtt -77.99 -28.9 49.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.584 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 11' ' ' GLN . 91.7 mt -70.23 -24.49 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 176.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -95.95 -8.44 33.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.85 0.357 . . . . 0.0 110.996 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.192 0.52 . . . . 0.0 111.219 -178.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.9 pt-20 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.727 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 p30 -55.0 -31.11 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.455 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -57.88 -30.52 65.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -84.34 -38.14 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.98 0.419 . . . . 0.0 110.158 176.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 8' ' ' GLU . 10.0 mp -56.45 -49.32 74.95 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.387 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 52.2 mt -53.84 -53.72 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.669 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -37.37 85.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.012 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.5 -55.95 27.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.305 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.24 -35.58 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -64.24 -44.85 90.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' HG21 ' A' ' 22' ' ' VAL . 67.6 mt-10 -64.66 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.398 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.14 -56.83 16.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.71 70.75 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.521 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.66 -37.39 79.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.508 0.194 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 24' ' ' LEU . 6.4 m -104.21 -22.54 4.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.81 37.6 1.04 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.027 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 22' ' ' VAL . 1.6 mp -96.99 -15.01 21.29 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.555 0.693 . . . . 0.0 110.008 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' B' ' 74' ' ' ALA . 9.5 mt -99.83 -15.11 18.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.878 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.38 125.33 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.039 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 25' ' ' LEU . 48.8 p90 -140.73 176.97 8.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.982 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.2 135.02 20.03 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.35 135.83 54.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.9 p -84.6 175.29 9.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.833 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.89 -41.27 82.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.32 -50.24 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.5 mt-10 -64.4 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.8 -32.42 52.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 110.361 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.052 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.87 -22.67 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.413 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 63.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.01 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.157 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.562 HG21 ' NE2' ' B' ' 55' ' ' GLN . 1.6 p -101.51 166.73 10.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.839 0.352 . . . . 0.0 111.44 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 52.9 mt -80.38 178.77 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.852 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.428 ' HD3' HG11 ' A' ' 22' ' ' VAL . 12.2 mmmm -89.68 -48.7 7.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.31 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -88.19 127.63 35.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.028 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.41 -35.22 80.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.82 -20.41 65.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.785 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.16 -44.23 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.224 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.2 t70 -55.96 -35.75 67.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.859 -178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -50.38 -51.04 49.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.355 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.417 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.2 mp -66.8 -39.79 84.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.887 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -61.67 -33.79 74.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.562 ' NE2' HG21 ' B' ' 44' ' ' THR . 70.0 mm-40 -86.82 -24.19 25.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -104.88 17.02 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.12 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -141.76 99.79 3.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.229 0.538 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.4 -21.88 55.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.28 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.418 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.0 pt-20 -80.04 -24.33 40.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.42 -35.46 25.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -65.55 -39.77 92.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.626 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.61 -22.78 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.649 0.261 . . . . 0.0 111.595 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.94 -30.23 65.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -82.12 4.41 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.13 -17.75 28.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -88.87 122.83 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.777 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.14 -26.48 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.2 m -69.89 -36.43 75.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.825 0.822 . . . . 0.0 109.87 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 87.5 t -75.86 -56.53 8.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.533 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.45 -22.38 66.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.441 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.65 -51.01 71.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.1 0.476 . . . . 0.0 110.638 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -71.29 -28.16 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.135 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 76' ' ' VAL . 94.6 mt -74.63 -46.16 40.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.924 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -63.91 -23.24 67.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.361 -0.212 . . . . 0.0 111.531 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.512 ' HA ' ' HE3' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.555 0.216 . . . . 0.0 110.796 171.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -75.09 -27.7 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.46 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.44 -40.01 81.39 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.063 0.459 . . . . 0.0 110.486 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.56 -32.83 74.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.177 0.513 . . . . 0.0 110.068 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -43.26 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.853 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.1 mm? -65.49 -10.25 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.017 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.244 176.228 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.424 HD11 ' C ' ' B' ' 96' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -61.91 -37.32 84.19 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.549 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.6 mptp? -55.54 -44.64 76.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 175.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.5 -51.4 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -33.21 73.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.89 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.09 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.221 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 98' ' ' LYS . 40.9 t -61.28 -34.57 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -53.13 -36.26 60.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.402 ' O ' HD21 ' B' ' 108' ' ' LEU . 4.3 m-85 -74.86 -42.11 58.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.389 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.69 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.398 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -101.42 -2.05 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 109.95 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.4 mm? -103.29 -13.68 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.18 152.62 39.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.081 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.41 121.53 3.48 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.72 0.638 . . . . 0.0 110.888 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.98 56.87 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.705 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 -170.07 11.9 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.267 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.421 HG13 ' N ' ' B' ' 114' ' ' HIS . 21.5 pt -84.17 -49.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.421 ' N ' HG13 ' B' ' 113' ' ' ILE . 26.3 m80 -127.25 39.77 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -74.87 136.35 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.429 0.633 . . . . 0.0 110.523 -174.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.511 ' HB2' ' CG1' ' B' ' 119' ' ' ILE . 14.7 m120 -108.16 135.05 50.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.632 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -63.95 -28.04 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.405 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -75.28 -22.44 57.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.462 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.511 ' CG1' ' HB2' ' B' ' 116' ' ' ASN . 26.2 mm -76.62 -37.14 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.44 -49.02 78.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.013 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.03 -60.71 2.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.996 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 p -60.17 -39.97 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.135 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -62.64 -58.35 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.418 HG21 ' HG3' ' B' ' 59' ' ' GLU . 52.7 mt -59.48 -41.17 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.57 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.82 -60.35 2.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.757 -174.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -34.87 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -175.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.28 -40.15 93.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.68 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.401 ' CB ' HG12 ' B' ' 53' ' ' ILE . 34.9 mmtp -77.14 -30.5 55.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.636 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 62.3 mt -73.81 -22.18 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.829 0.347 . . . . 0.0 111.214 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -85.94 -17.12 36.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.102 0.477 . . . . 0.0 110.149 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.811 -179.108 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.777 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.571 0.224 . . . . 0.0 110.924 177.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -66.77 -31.66 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.205 0.526 . . . . 0.0 110.122 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.493 ' HB3' HD12 ' B' ' 130' ' ' LEU . 11.5 mm100 -76.6 -43.31 39.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.527 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 8' ' ' GLU . 7.4 mp -50.2 -54.56 20.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.825 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.2 mt -54.27 -50.78 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.907 -172.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 2.3 t70 -76.73 -27.12 55.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.438 -174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 68.8 t80 -62.62 -52.69 62.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.128 0.49 . . . . 0.0 109.935 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.17 -39.34 72.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.222 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 40.5 ttt180 -61.73 -43.89 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.766 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 57.7 mt-10 -61.83 -39.03 90.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 mt -57.49 -47.5 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.163 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.79 -24.41 76.35 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.652 -0.703 . . . . 0.0 113.236 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.17 -30.83 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.429 0.615 . . . . 0.0 111.243 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 18' ' ' GLU . 17.4 m -101.79 -11.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.539 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.47 37.4 5.59 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.057 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' B' ' 54' ' ' TYR . 94.7 mt -103.26 -23.72 13.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.354 0.597 . . . . 0.0 109.931 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' B' ' 73' ' ' LEU . 66.5 tp -92.08 -11.4 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.802 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.11 144.03 55.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.42 175.19 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.157 0.503 . . . . 0.0 111.495 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -147.69 127.38 13.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.711 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 73.9 mt -108.3 133.66 52.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.955 0.407 . . . . 0.0 111.986 -173.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 175.25 7.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.391 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -56.87 -41.44 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.419 . . . . 0.0 110.66 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.22 -43.2 95.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.696 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.1 mm-40 -67.88 -32.32 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.327 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.48 -30.4 63.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.328 0.585 . . . . 0.0 109.739 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.15 -34.87 68.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.078 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.47 -25.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.626 0.25 . . . . 0.0 111.373 -177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.627 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.422 HG22 ' NE2' ' B' ' 55' ' ' GLN . 4.2 p -108.52 165.52 11.47 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.545 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 19' ' ' LEU . 42.9 mt -77.1 179.77 6.08 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.247 0.546 . . . . 0.0 111.954 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -86.36 -41.81 14.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -99.31 129.94 45.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.976 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.38 -31.89 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.871 0.367 . . . . 0.0 110.686 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.24 63.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -98.99 -44.91 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.153 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.446 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.9 t70 -55.63 -36.01 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.457 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.88 -46.95 64.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.418 HG12 ' HB2' ' B' ' 129' ' ' LYS . 5.1 mp -70.34 -41.3 78.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.881 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.482 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 89.7 t80 -59.45 -37.86 79.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.894 0.378 . . . . 0.0 110.944 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.8 mm-40 -81.11 -21.04 40.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -113.85 31.99 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.405 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -147.49 102.8 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.063 0.458 . . . . 0.0 110.53 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.61 -32.22 57.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.381 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 12.6 mm-40 -66.77 -36.17 81.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.314 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.53 -28.51 61.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.86 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 6.6 tp-100 -78.34 -36.63 46.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.569 -178.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 20.1 pt-20 -62.83 -29.41 70.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.025 0.441 . . . . 0.0 110.346 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.38 -38.2 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.19 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.12 5.4 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.535 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 30.4 mmmt -97.38 -14.52 21.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.106 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -83.8 132.8 34.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -67.96 -27.19 66.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.428 HG21 ' CD2' ' A' ' 37' ' ' LEU . 80.0 m -74.98 -34.4 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.499 0.666 . . . . 0.0 110.259 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -71.69 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.115 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -55.25 -36.8 66.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.73 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 37' ' ' LEU . 54.6 t80 -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.302 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -71.5 -35.98 70.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.637 ' O ' HG21 ' B' ' 76' ' ' VAL . 86.8 mt -72.0 -33.4 68.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.671 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.72 -31.41 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.797 0.332 . . . . 0.0 110.623 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.7 mtpt -65.23 -29.66 70.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.637 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.3 m -83.54 -31.3 8.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.601 -0.44 . . . . 0.0 109.832 177.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.1 t80 -59.56 -38.57 81.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.046 0.451 . . . . 0.0 110.141 176.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 93.4 mtt180 -59.72 -32.09 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.327 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -71.17 -54.43 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.544 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -59.74 -23.94 63.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.681 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.987 177.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.415 HD11 ' C ' ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.507 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -63.94 -39.77 94.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.588 177.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.568 ' O ' HG21 ' B' ' 102' ' ' VAL . 12.9 mptt -55.25 -48.1 74.45 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.366 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.35 -54.09 50.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.96 -37.48 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -48.49 73.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.568 HG21 ' O ' ' B' ' 98' ' ' LYS . 48.0 t -63.48 -32.71 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 0.0 110.709 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -54.21 -35.11 62.04 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.621 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.1 m-85 -73.65 -46.41 46.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.19 -33.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.47 -37.11 86.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.89 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 59.2 p -81.6 -5.51 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.998 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 84.4 mt -104.07 -9.33 18.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.671 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.88 170.19 9.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -48.08 131.72 15.77 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.299 0.571 . . . . 0.0 111.872 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.56 45.52 7.3 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.212 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.02 -166.56 12.4 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.593 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.9 pt -95.43 -44.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.903 0.382 . . . . 0.0 111.407 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -126.12 40.38 3.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.526 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -78.92 143.44 35.83 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.068 -170.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -134.04 132.89 40.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.105 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.49 -23.97 67.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.666 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.5 65.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.6 mm -75.44 -39.07 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.34 -45.85 86.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.952 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -44.45 94.25 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.207 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -51.75 -54.47 28.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.187 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.31 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.558 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 80.1 mm-40 -66.36 -51.92 52.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.257 -171.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.11 -39.43 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.179 0.514 . . . . 0.0 110.926 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.45 -58.4 3.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.998 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.421 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.5 pp -59.35 -31.1 68.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.505 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 16.8 t70 -54.79 -48.92 72.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.801 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.418 ' HB2' HG12 ' B' ' 53' ' ' ILE . 61.0 mmtt -80.09 -27.82 39.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.951 -175.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 11' ' ' GLN . 90.9 mt -70.43 -35.03 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.632 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -81.73 -9.37 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.077 0.465 . . . . 0.0 110.267 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.291 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.611 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.678 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 p30 -59.14 -28.52 66.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.103 -175.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 m -52.29 -36.69 53.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 110.761 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' HB3' HD13 ' B' ' 130' ' ' LEU . 15.8 mm100 -83.88 -38.29 21.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.9 mp -57.9 -47.63 82.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.011 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 71.4 mt -55.83 -49.64 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.262 -173.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 8.3 m-20 -66.0 -36.44 83.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 178.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.554 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 t80 -62.03 -54.0 47.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.95 -37.9 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 0.0 110.433 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 72.1 ttt180 -62.17 -47.45 84.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.758 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 52.9 mt-10 -63.27 -31.92 73.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.6 mt -57.7 -51.57 69.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.066 0.46 . . . . 0.0 110.008 176.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.82 -26.08 74.63 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.215 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -68.6 -37.25 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.217 0.509 . . . . 0.0 111.389 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 18' ' ' GLU . 26.1 m -99.01 -20.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.324 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 103.61 38.08 2.86 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.012 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -107.87 -10.61 15.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.403 0.62 . . . . 0.0 110.492 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 60.1 tp -97.38 -2.24 42.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.666 171.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 6.2 pt-20 -53.77 141.67 26.08 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.501 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -150.69 167.34 27.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.352 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -153.98 114.49 3.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 56.0 mt -93.15 133.11 36.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.117 -172.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -96.93 179.53 4.91 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.39 -38.51 71.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 110.698 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -66.08 -42.77 88.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.65 -33.73 69.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.158 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 99.1 mttt -79.73 -22.03 43.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.73 -32.83 66.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.931 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -84.33 -26.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.918 0.39 . . . . 0.0 111.118 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.274 -177.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.542 0.687 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.491 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -112.5 178.09 4.42 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.304 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.46 HD23 HD22 ' A' ' 19' ' ' LEU . 50.7 mt -75.73 -176.48 3.34 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.423 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 35.5 mtpt -92.34 -46.42 7.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.317 0.579 . . . . 0.0 109.943 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -89.08 126.52 35.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 174.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -67.76 -33.45 74.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.811 0.338 . . . . 0.0 110.717 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.855 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.26 -45.95 7.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.16 0.505 . . . . 0.0 109.967 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.14 -35.43 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.109 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -53.41 -48.48 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.37 -41.75 89.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 0.0 110.827 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -58.39 -35.77 72.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.726 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.491 ' NE2' HG22 ' B' ' 44' ' ' THR . 65.1 mm-40 -86.23 -17.19 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -113.81 28.97 8.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -147.0 90.53 1.91 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.05 0.452 . . . . 0.0 111.074 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.29 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.671 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 28.7 mt-10 -65.03 -45.35 85.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.068 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.55 -34.81 79.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.625 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -70.64 -40.13 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.828 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.9 pt-20 -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 110.88 -174.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 44.9 mt -74.18 -33.06 63.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.301 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.577 ' O ' ' HD3' ' B' ' 70' ' ' LYS . 33.0 mt -77.78 17.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' B' ' 63' ' ' LEU . 32.4 mmmt -104.17 -5.64 21.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.578 ' O ' HG21 ' B' ' 69' ' ' VAL . 94.4 m-85 -93.84 118.29 31.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 83.5 m-20 -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -59.01 -39.05 80.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 111.422 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.578 HG21 ' O ' ' B' ' 66' ' ' TYR . 2.8 m -83.33 -40.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' B' ' 64' ' ' LEU . 57.8 mtmt -62.62 -36.76 83.81 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.26 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.56 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 50.6 t80 -55.17 -49.62 71.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.79 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -69.63 -38.31 77.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.131 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.63 ' O ' HG23 ' B' ' 76' ' ' VAL . 95.8 mt -68.19 -36.87 80.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -68.01 -26.14 65.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 58.9 mtpt -66.67 -32.02 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.63 HG23 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -79.32 -31.66 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.728 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.39 -36.91 79.21 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.285 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 21.2 mtm180 -59.19 -34.11 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.212 0.53 . . . . 0.0 110.144 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.43 -46.38 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.262 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -68.54 -10.95 59.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.201 0.524 . . . . 0.0 110.464 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.449 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.757 177.018 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.456 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.9 pp . . . . . 0 CA--C 1.521 -0.135 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.24 -34.34 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.426 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.61 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -59.08 -44.47 91.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.82 -47.9 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.46 -33.08 74.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.82 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.071 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.8 t -60.23 -36.24 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.547 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -57.12 -30.04 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.274 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.626 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.4 m-85 -79.54 -40.06 30.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.603 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.5 -29.62 67.3 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.799 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -69.37 -34.12 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.377 . . . . 0.0 110.715 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 45.0 p -81.69 -14.38 56.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.6 mt -95.5 -2.88 47.74 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.007 174.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -89.67 164.7 14.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.156 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.577 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 49.1 t80 -49.38 132.55 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 111.466 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.36 72.3 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.729 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.89 -152.45 22.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.281 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 pt -115.47 -33.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 0.0 111.267 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -130.79 39.39 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -76.0 139.09 41.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.352 0.596 . . . . 0.0 110.509 -174.271 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -118.39 144.74 45.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.779 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.81 72.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.081 -176.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.531 ' HB1' HG12 ' B' ' 69' ' ' VAL . . . -84.09 -29.77 26.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.463 HG22 ' HB3' ' B' ' 108' ' ' LEU . 41.3 mm -64.38 -43.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.64 176.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.577 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 19.4 mt-10 -61.93 -48.68 79.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.695 176.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.96 -41.73 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -55.39 -61.74 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.442 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . 0.413 ' HB2' HD23 ' A' ' 12' ' ' LEU . 26.2 p -59.73 -41.12 90.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.239 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 84.1 mm-40 -70.1 -46.1 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 -174.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.81 -35.65 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.555 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' B' ' 130' ' ' LEU . 1.2 tm? -68.98 -59.78 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.057 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.452 ' HB3' HD12 ' A' ' 12' ' ' LEU . 1.9 pp -57.42 -30.54 65.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.8 t70 -54.25 -51.28 65.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.122 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -81.22 -31.33 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.697 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 11' ' ' GLN . 13.7 mt -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -91.47 -1.85 57.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.852 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.865 -179.775 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.8 pm0 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.19 0.519 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.735 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 p30 -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.106 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 t -59.49 -38.61 81.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.084 0.468 . . . . 0.0 109.775 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' HB3' HD12 ' B' ' 130' ' ' LEU . 16.1 mm100 -72.59 -37.04 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.088 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 90.9 mt -56.72 -52.68 64.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 173.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 63.5 mt -57.48 -45.96 84.26 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.171 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.89 -36.23 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.342 -176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CD1' HD22 ' B' ' 126' ' ' LEU . 62.3 t80 -69.77 -52.77 22.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.627 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.73 -39.64 48.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.592 0.71 . . . . 0.0 110.414 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 68.7 ttt180 -61.63 -45.6 93.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.315 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.73 -28.79 69.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.592 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 HD22 ' B' ' 45' ' ' LEU . 47.6 mt -62.91 -52.02 64.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.364 0.602 . . . . 0.0 110.145 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.76 -20.94 74.69 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.702 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.38 -38.36 74.71 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.16 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' HD3' ' B' ' 46' ' ' LYS . 5.6 m -98.14 -19.82 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 111.349 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.45 38.11 2.89 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.82 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.9 mt -97.54 -27.45 14.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 110.127 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' B' ' 73' ' ' LEU . 50.4 tp -86.96 -17.07 33.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.71 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.35 142.42 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.427 ' HE2' ' CB ' ' B' ' 74' ' ' ALA . 49.0 p90 -143.69 178.73 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 -171.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.21 133.78 23.48 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.39 139.31 51.03 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.969 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 p -92.34 171.22 9.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.779 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -56.31 -38.06 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.87 0.367 . . . . 0.0 111.304 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -67.37 -40.44 85.75 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.313 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.6 mt-10 -72.81 -28.73 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.64 -26.55 57.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.017 0.437 . . . . 0.0 110.257 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.99 -35.23 76.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.078 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -84.22 -23.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.91 0.385 . . . . 0.0 111.263 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.3 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.182 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.56 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.032 0.444 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.11 167.55 10.58 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.057 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.506 HD22 HD22 ' A' ' 19' ' ' LEU . 39.1 mt -76.12 177.94 6.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 111.451 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.427 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.4 mmmm -84.91 -55.19 4.2 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.6 m -84.82 126.44 33.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.127 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -62.93 -35.23 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.412 ' O ' HD11 ' B' ' 53' ' ' ILE . . . -60.88 -36.43 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.627 177.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.11 -43.87 20.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.842 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.8 t70 -56.66 -34.88 67.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.38 -52.68 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.223 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.4 mp -67.09 -40.99 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.888 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.87 -36.97 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.052 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 72.1 mm-40 -83.26 -19.87 35.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.994 0.426 . . . . 0.0 110.457 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -110.77 30.57 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -146.13 85.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.219 0.533 . . . . 0.0 111.181 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.7 67.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -77.7 -20.33 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 0.0 110.187 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 tp -85.54 -45.91 11.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -56.09 -28.94 59.7 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.942 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 -24.06 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.693 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.56 -33.44 47.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.037 0.446 . . . . 0.0 110.162 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.76 11.06 2.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.346 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.62 -9.38 23.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 109.883 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.461 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 90.2 m-85 -88.59 122.53 32.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.565 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.31 -23.46 67.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.928 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -67.24 -48.26 68.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' B' ' 119' ' ' ILE . 55.8 t -60.12 -57.84 9.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.769 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 24.3 mtpp -53.11 -37.14 61.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.375 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.07 -53.02 60.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -65.4 -36.01 82.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.975 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.624 ' O ' HG21 ' B' ' 76' ' ' VAL . 87.1 mt -73.26 -33.23 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.427 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . . . -66.52 -32.43 73.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 0.0 110.774 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -62.81 -31.95 73.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.031 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -83.29 -30.8 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 20.4 t80 -60.37 -36.34 77.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 97.3 mtt180 -58.46 -34.3 70.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.308 0.575 . . . . 0.0 110.563 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -71.62 -46.41 62.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.01 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -71.18 -15.77 62.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.455 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.409 HD12 ' C ' ' B' ' 96' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.523 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -65.11 -30.49 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.755 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.569 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -58.06 -38.99 77.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.901 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.15 -55.83 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.037 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.87 -36.31 74.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.659 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.28 -49.49 75.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.722 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 98' ' ' LYS . 61.0 t -61.91 -36.19 72.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.531 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.14 -29.6 65.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.101 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.3 -48.49 19.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.898 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.26 -25.29 67.75 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.005 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.73 -14.24 62.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.521 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.2 p -97.93 -10.85 23.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.205 0.526 . . . . 0.0 109.657 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.506 ' HB3' HG22 ' B' ' 119' ' ' ILE . 4.3 mm? -100.11 -23.14 14.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.094 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -72.6 149.7 43.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.091 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -46.3 110.99 0.32 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.732 0.645 . . . . 0.0 111.443 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.61 -10.81 11.32 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.49 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.11 -173.81 46.4 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.778 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 23.2 pt -82.25 -41.65 18.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.951 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -121.7 45.42 2.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.8 OUTLIER -74.95 148.29 40.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.588 -174.427 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . 0.47 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -126.51 138.93 53.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.281 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.44 -23.66 63.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.365 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.85 65.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.506 HG22 ' HB3' ' B' ' 108' ' ' LEU . 23.7 mm -75.23 -39.14 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 14.4 tp10 -60.18 -51.36 69.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.208 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.44 -40.39 90.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.473 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.73 -56.09 20.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 62.0 m -55.16 -50.21 69.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.535 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 77.6 mm-40 -64.44 -57.08 10.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.732 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ILE . . . . . 0.432 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 74.7 mt -57.44 -41.02 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.928 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -69.83 -61.08 1.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.122 -177.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . 0.404 HD11 ' C ' ' B' ' 127' ' ' LEU . 2.5 pp -60.51 -28.28 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.633 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 20.6 t70 -57.49 -47.26 82.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 0.0 110.551 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' B' ' 53' ' ' ILE . 53.5 mmtt -77.81 -28.71 50.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.276 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 11' ' ' GLN . 89.4 mt -69.41 -32.92 72.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.642 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -85.84 -10.47 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.034 0.445 . . . . 0.0 110.435 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.237 178.388 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -32.42 103.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.55 3.5 . . . . 0.0 114.331 -172.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 65.99 87.64 0.12 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.695 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.0 mmm -69.69 -171.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.1 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -55.49 133.65 50.21 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.709 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.14 -178.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.367 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -111.39 11.48 21.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.172 0.51 . . . . 0.0 110.279 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.2 pt-20 -60.05 -49.67 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.754 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.781 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 8.5 m-80 -57.82 -41.92 83.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -55.91 -47.29 77.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.74 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' NE2' HD23 ' B' ' 130' ' ' LEU . 6.1 mt-30 -70.52 -38.94 74.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.9 mp -54.13 -43.13 70.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.28 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 58.3 mt -61.96 -51.54 67.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.438 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -69.73 -28.0 65.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.764 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' B' ' 126' ' ' LEU . 64.5 t80 -61.01 -57.24 13.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.787 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 72.9 mt -59.21 -35.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.655 0.74 . . . . 0.0 110.299 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.62 -43.01 97.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 22' ' ' VAL . 52.9 mt-10 -66.11 -35.21 79.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.045 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 9.7 mp -54.09 -51.7 63.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.96 0.41 . . . . 0.0 110.548 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.54 -17.19 77.75 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.234 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.03 -30.62 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 111.08 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 18' ' ' GLU . 23.1 m -101.58 -17.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.61 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.14 32.23 3.83 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.844 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.8 mt -101.41 -6.69 23.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.006 0.431 . . . . 0.0 110.164 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 22.7 tp -105.99 -4.22 20.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.485 0.659 . . . . 0.0 110.706 -175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.03 142.69 45.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.575 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB3' ' HG2' ' B' ' 70' ' ' LYS . 55.1 p90 -152.97 172.41 16.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 111.929 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 134.11 22.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.963 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.2 mt -117.9 135.07 54.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.911 0.386 . . . . 0.0 111.11 -177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -83.38 168.99 16.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -52.75 -44.07 66.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.02 -40.58 96.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.2 mt-10 -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.66 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -76.28 -29.49 57.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.223 0.535 . . . . 0.0 110.249 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.8 -34.33 69.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.233 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.98 -25.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 111.169 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 60.9 mt -94.85 -53.64 3.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.533 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.43 -28.31 26.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.46 -6.03 74.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.835 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.204 -0.903 . . . . 0.0 109.402 -179.206 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.511 0.196 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.89 -163.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 0.0 110.89 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.557 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 3.1 mptt -72.44 173.5 8.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.333 0.587 . . . . 0.0 111.249 -175.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.01 159.61 26.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.112 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 mt -74.01 171.86 12.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.338 0.589 . . . . 0.0 111.104 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -96.3 -36.59 10.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.121 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -93.65 124.52 37.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.869 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -65.14 -34.25 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.78 78.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -83.68 -41.04 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -55.14 -34.03 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.04 -50.9 63.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.049 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.505 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.2 mp -65.96 -47.32 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -55.67 -31.01 62.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.88 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.0 mm-40 -90.42 -22.13 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -107.75 26.44 10.31 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.7 m -147.08 88.3 1.72 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.162 0.506 . . . . 0.0 111.195 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.797 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 3.6 pm0 -68.73 -22.48 64.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.95 -37.64 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.494 ' HG3' ' NZ ' ' B' ' 65' ' ' LYS . 6.1 tp-100 -72.92 -33.23 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.42 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.25 -36.75 83.83 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.375 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 68.9 mt -68.18 -38.2 81.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.193 0.521 . . . . 0.0 110.434 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.468 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 31.4 tp -70.99 -9.12 57.43 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.301 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.494 ' NZ ' ' HG3' ' B' ' 61' ' ' GLN . 60.9 mttp -79.43 -24.66 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -72.04 128.34 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -64.55 -24.32 67.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -70.75 -38.31 73.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.497 0.665 . . . . 0.0 109.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.474 ' HA ' HD11 ' B' ' 119' ' ' ILE . 72.8 t -69.06 -57.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.856 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 27' ' ' TYR . 4.1 tppp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 37' ' ' LEU . 40.8 t80 -61.86 -50.86 70.54 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -67.64 -27.71 67.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.424 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.473 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.9 mt -75.96 -28.3 57.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.422 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 25' ' ' LEU . . . -69.62 -30.13 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.553 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.07 -39.2 81.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.3 m -84.1 -28.72 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.944 -176.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -61.14 -33.32 73.21 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -58.02 -38.62 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.118 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 68.6 mt -69.75 -49.43 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.602 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.93 -18.48 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.059 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -89.23 -31.41 17.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 9.5 p -174.1 145.48 1.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.774 0.321 . . . . 0.0 111.287 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.708 ' HB ' ' OE1' ' B' ' 97' ' ' GLN . 14.6 t -89.89 -21.69 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.096 0.475 . . . . 0.0 109.88 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.61 163.32 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.708 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -90.08 14.73 11.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.53 0.681 . . . . 0.0 110.678 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -89.58 -39.03 13.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.128 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.2 -91.12 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.203 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 94.3 p 59.01 161.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.742 1.217 . . . . 0.0 112.659 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t 68.99 91.79 0.09 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.811 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.52 -64.41 0.5 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -136.71 2.55 2.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.535 0.684 . . . . 0.0 110.285 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.468 ' HE2' ' HA ' ' B' ' 92' ' ' MET . 3.2 mmt -151.27 -149.93 0.32 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.413 -1.267 . . . . 0.0 107.861 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' B' ' 92' ' ' MET . 5.1 t30 77.18 -28.09 0.17 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.46 0.475 . . . . 0.0 111.29 174.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' SER . . . . . 0.433 ' H ' ' C ' ' B' ' 92' ' ' MET . 16.3 m -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.865 0.466 . . . . 0.0 111.916 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.18 -28.36 64.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.682 0.753 . . . . 0.0 109.468 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -39.03 61.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.099 174.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.708 ' OE1' ' HB ' ' B' ' 83' ' ' THR . 16.2 mm100 -60.79 -30.77 70.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.481 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.8 mptt -52.61 -44.36 65.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.813 174.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -65.55 -51.94 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.18 -31.54 70.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.641 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.416 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -69.19 -48.76 61.22 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.564 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 98' ' ' LYS . 96.8 t -59.41 -35.75 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.691 0.281 . . . . 0.0 110.314 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -52.37 -35.24 50.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.425 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.2 m-85 -74.64 -51.57 14.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.65 -25.76 68.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.583 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.48 -23.46 66.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.698 0.285 . . . . 0.0 111.13 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.7 p -96.56 -4.58 41.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.163 0.506 . . . . 0.0 110.027 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.5 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -104.53 -24.28 13.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.677 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -82.16 -177.66 6.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.321 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -55.29 122.97 12.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.239 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.81 22.64 52.57 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.284 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.9 -159.51 32.33 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.646 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 pt -105.38 -42.43 7.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 120.8 0.333 . . . . 0.0 111.283 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -122.25 45.89 2.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -75.33 151.53 38.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.041 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.76 142.26 51.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.601 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.38 -36.14 79.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.993 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.83 -24.19 48.75 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' B' ' 108' ' ' LEU . 32.1 mm -80.08 -40.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 2.4 tm-20 -56.19 -52.18 65.35 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.09 -37.4 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.51 -54.24 40.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.603 0.24 . . . . 0.0 110.441 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.79 -38.25 86.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.799 -178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 77.9 mm-40 -62.88 -53.2 57.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.636 0.255 . . . . 0.0 111.216 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.408 HG21 ' HG2' ' B' ' 59' ' ' GLU . 74.3 mt -62.96 -41.68 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 15' ' ' PHE . 1.2 tt -60.96 -61.54 2.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.352 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.02 -25.87 68.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.21 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.23 -51.25 67.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.423 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.505 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.3 mmtt -76.35 -29.42 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.169 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.512 HD23 ' NE2' ' A' ' 11' ' ' GLN . 85.7 mt -64.19 -31.78 73.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.343 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -89.9 -18.52 25.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.349 . . . . 0.0 110.748 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -92.0 5.98 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.376 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 133' ' ' VAL . 7.2 p -106.15 -12.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.782 0.801 . . . . 0.0 109.628 175.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -76.46 68.15 2.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.326 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.782 176.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.29 114.28 1.87 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.898 2.398 . . . . 0.0 112.393 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -76.37 90.76 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.412 0.625 . . . . 0.0 110.107 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -93.67 176.25 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.149 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -82.86 133.71 35.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.054 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.18 -162.24 0.79 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -113.45 32.01 6.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.361 0.6 . . . . 0.0 109.494 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.52 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.487 -178.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.785 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 m-80 -59.28 -40.97 87.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -55.56 -35.28 65.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.918 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' A' ' 11' ' ' GLN . 6.9 mt-30 -79.6 -41.0 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.135 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.5 mp -57.15 -42.66 81.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 77.5 mt -58.39 -51.32 70.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.816 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.1 m-20 -71.82 -26.02 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.043 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' B' ' 126' ' ' LEU . 50.3 t80 -63.57 -52.34 61.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.1 -36.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.377 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 49.4 ttt180 -63.23 -49.36 74.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.796 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 64.9 mt-10 -63.44 -38.76 92.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 110.209 177.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.03 -51.87 54.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.723 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.32 -31.53 68.7 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.996 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.75 -30.72 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.948 0.374 . . . . 0.0 111.713 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 18' ' ' GLU . 18.9 m -98.1 -9.39 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 0.0 110.888 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.55 7.98 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.099 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 87.5 mt -98.75 -18.3 18.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.406 0.622 . . . . 0.0 109.943 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' B' ' 73' ' ' LEU . 56.6 tp -99.0 -8.33 25.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.375 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.11 144.25 57.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -145.41 175.55 10.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.728 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -146.28 124.98 12.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -106.17 130.27 54.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.53 . . . . 0.0 111.935 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -85.82 175.69 8.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.16 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.05 -39.71 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.83 -42.43 81.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.69 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.2 mm-40 -65.59 -30.77 71.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.48 -28.07 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.153 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.39 -34.82 73.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.16 -23.61 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 52.3 mt -94.9 -55.83 2.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.142 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -99.74 -34.1 10.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.656 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.74 1.67 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -168.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.754 174.097 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -129.83 -165.48 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.715 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.607 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -69.7 169.52 12.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.383 0.611 . . . . 0.0 110.928 -176.219 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -115.29 170.45 8.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.295 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.64 174.04 11.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.085 0.469 . . . . 0.0 110.677 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.428 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 18.5 mtpp -92.57 -36.77 12.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.333 -173.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -92.28 125.2 36.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.25 -33.94 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.94 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -80.79 -44.62 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.431 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.575 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 31.5 t70 -55.77 -33.2 64.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.052 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -56.91 -48.19 78.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.164 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.21 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.5 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.426 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 42.8 t80 -60.39 -26.74 66.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.003 -177.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.1 mm-40 -94.57 -17.01 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.25 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.7 m -108.62 87.35 2.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.446 0.641 . . . . 0.0 110.168 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.79 57.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.657 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.472 ' HG3' HG23 ' B' ' 125' ' ' ILE . 14.2 pt-20 -72.75 -19.93 61.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 109.853 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -77.27 -30.95 54.59 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -76.03 -36.53 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.564 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.8 pt-20 -62.9 -28.78 70.29 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.652 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 48.3 mt -71.15 -36.05 71.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.308 0.575 . . . . 0.0 109.677 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 25.9 mt -77.7 14.62 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.629 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 50.4 mtpt -105.39 -11.18 16.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.532 . . . . 0.0 109.721 175.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.443 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 97.4 m-85 -89.04 131.27 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.03 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.4 -23.77 63.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.93 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.8 m -73.88 -34.23 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.597 0.713 . . . . 0.0 109.728 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.471 HG23 ' HB1' ' B' ' 118' ' ' ALA . 90.7 t -68.97 -60.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.525 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 36.0 mtpt -55.15 -37.84 67.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.211 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.7 -51.03 70.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.939 0.399 . . . . 0.0 111.388 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -66.32 -34.71 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.204 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.575 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.0 mt -75.65 -33.41 60.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.46 -30.56 70.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.736 0.303 . . . . 0.0 110.759 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.575 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -76.88 -31.3 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.259 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.4 t80 -56.17 -41.33 75.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 32.6 mtm180 -61.82 -34.76 76.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -67.25 -45.2 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.01 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -63.73 -24.1 67.64 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.977 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.482 ' O ' ' HB2' ' B' ' 82' ' ' SER . 22.8 t -76.54 -50.6 13.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' B' ' 81' ' ' SER . 13.3 t 172.75 138.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.928 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.448 ' HB ' HE22 ' B' ' 97' ' ' GLN . 12.1 t -89.17 -11.81 42.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.421 HG13 HG21 ' B' ' 83' ' ' THR . 15.0 m -131.11 161.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.721 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.11 43.45 1.01 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.227 0.537 . . . . 0.0 110.871 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.42 -72.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.879 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.3 75.32 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.742 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.9 m -65.03 137.0 57.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 17.9 p -87.88 12.17 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.943 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.43 0.92 88.65 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.546 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 64.28 20.96 12.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 122.967 0.507 . . . . 0.0 111.791 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 44.2 mtm -118.3 -11.49 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.845 0.355 . . . . 0.0 110.693 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -63.37 -39.63 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.722 -179.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -63.7 -33.28 75.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 18.4 t70 -69.57 -30.47 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.5 OUTLIER -80.67 -31.52 36.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.172 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.3 mm100 -63.48 -24.41 67.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.518 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.537 ' O ' HG22 ' B' ' 102' ' ' VAL . 13.4 mptt -51.2 -52.54 43.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.976 173.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -51.84 67.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.986 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.51 -34.59 78.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.87 81.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.594 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 98' ' ' LYS . 64.4 t -60.75 -35.36 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.753 0.311 . . . . 0.0 110.465 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.2 -29.61 61.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.584 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.561 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 5.2 m-85 -81.6 -42.2 20.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.68 -31.46 72.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.487 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.28 -31.68 72.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.984 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.2 p -88.61 -6.55 57.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.137 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 74.5 mt -107.2 -18.31 13.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.394 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -79.6 172.66 13.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.18 137.46 57.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.332 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.52 39.62 14.4 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.791 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.74 -151.17 13.54 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.7 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -116.63 -39.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.669 0.271 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -131.75 46.52 2.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 4.2 p90 -81.13 151.23 28.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.962 -171.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.53 140.35 52.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.493 -177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.43 -31.68 71.62 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.953 -170.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.471 ' HB1' HG23 ' B' ' 69' ' ' VAL . . . -73.89 -27.46 61.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.833 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' B' ' 108' ' ' LEU . 30.5 mm -77.21 -38.22 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tm-20 -59.73 -51.59 69.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.463 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.31 -36.68 83.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -51.79 -53.58 38.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.833 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 65.0 m -59.31 -45.78 90.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.528 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 34.6 mm-40 -62.17 -55.11 31.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.533 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.472 HG23 ' HG3' ' B' ' 59' ' ' GLU . 77.1 mt -62.82 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 15' ' ' PHE . 39.6 tp -70.8 -51.06 29.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.656 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.427 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.1 pp -65.22 -26.87 68.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.23 -54.77 39.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -80.87 -24.11 38.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 38.9 mt -71.12 -25.63 62.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.235 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.96 -20.47 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.85 0.357 . . . . 0.0 111.006 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.05 0.11 52.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 8.1 p -95.61 -25.83 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.203 0.525 . . . . 0.0 109.843 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -88.58 87.04 7.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.187 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.77 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.15 117.13 4.72 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.578 2.186 . . . . 0.0 112.324 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 56.14 86.39 0.06 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptm -109.62 167.67 9.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.44 145.26 50.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.15 107.39 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.969 0.793 . . . . 0.0 111.265 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 7.8 m120 -103.02 8.5 38.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.382 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.576 ' O ' HD11 ' A' ' 12' ' ' LEU . 6.1 pt-20 -52.18 -48.41 65.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.317 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.708 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 p30 -57.61 -40.6 79.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.596 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -65.94 -37.32 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 0.0 110.273 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 13.5 mt-30 -71.89 -37.71 70.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.102 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 8' ' ' GLU . 5.7 mp -54.45 -44.22 72.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.668 174.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 56.7 mt -58.54 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.149 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -37.79 80.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.4 t80 -63.8 -54.58 32.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.353 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.76 -38.89 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.483 0.658 . . . . 0.0 110.519 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -61.21 -46.5 90.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.94 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.43 -29.44 69.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.311 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 82.8 mt -57.73 -49.43 76.57 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 121.09 0.472 . . . . 0.0 109.862 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.43 -23.52 77.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.886 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.02 -44.95 71.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.658 0.266 . . . . 0.0 111.318 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 44' ' ' THR . 17.3 m -91.96 -19.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.152 0.501 . . . . 0.0 110.84 -175.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.69 38.13 3.05 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.543 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.28 -30.01 13.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.812 0.815 . . . . 0.0 109.235 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' B' ' 73' ' ' LEU . 28.9 tp -86.27 -12.92 48.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.499 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 9.8 pt-20 -60.6 136.45 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.814 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 36.9 p90 -146.12 177.82 8.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.173 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -152.9 110.46 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.7 mt -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.721 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -82.74 170.23 15.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.732 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -53.32 -43.13 67.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.665 0.269 . . . . 0.0 111.349 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.7 -41.69 75.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.564 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 mt-10 -63.84 -28.21 69.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -81.19 -29.58 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 32.4 t70 -70.21 -30.61 67.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.148 -176.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.9 m -83.9 -27.93 7.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.873 0.368 . . . . 0.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.2 mt -91.79 -53.26 4.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -176.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.59 -21.5 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.223 0.535 . . . . 0.0 109.968 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 35' ' ' ASP . . . -72.93 -9.98 76.65 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.674 176.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.001 177.016 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.238 0.542 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.87 -155.26 0.55 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.152 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.642 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -89.23 -175.48 4.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.634 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.422 HG21 ' NE2' ' B' ' 55' ' ' GLN . 3.8 m -135.75 150.95 49.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' B' ' 51' ' ' ASP . 41.9 mt -69.3 167.97 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.982 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -98.18 -37.18 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.591 -173.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -91.47 121.44 33.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.986 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -64.18 -32.63 74.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.427 -176.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.69 70.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -94.07 -36.66 12.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.422 ' HA ' HD11 ' B' ' 45' ' ' LEU . 22.9 t70 -55.41 -34.89 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.99 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -51.78 -51.01 59.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.869 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.1 mp -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.584 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.48 -37.55 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.422 ' NE2' HG21 ' B' ' 44' ' ' THR . 56.2 mm-40 -86.86 -29.47 22.16 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.031 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.39 10.17 23.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.896 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -138.11 103.25 4.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.378 0.608 . . . . 0.0 110.785 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -23.68 52.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 26.2 mt-10 -68.1 -44.32 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.817 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.29 -36.0 80.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.486 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -64.41 -41.22 96.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.5 pt-20 -72.7 -22.76 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.832 0.349 . . . . 0.0 111.404 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 69' ' ' VAL . 91.9 mt -72.29 -31.64 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.791 0.329 . . . . 0.0 110.555 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 22.4 mt -77.86 16.78 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -104.6 5.69 33.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.098 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.625 ' O ' HG22 ' B' ' 69' ' ' VAL . 73.7 m-85 -110.8 115.38 29.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -59.41 -29.67 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.568 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 54.0 m -59.62 -41.56 90.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.218 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 66' ' ' TYR . 2.8 m -82.06 -38.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.048 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.504 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 48.0 mtpt -65.98 -33.38 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.343 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.428 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 40.7 t80 -56.04 -47.25 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.863 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.504 ' CG ' HD13 ' B' ' 108' ' ' LEU . 53.5 m80 -73.68 -38.68 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.203 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.605 ' O ' HG22 ' B' ' 76' ' ' VAL . 88.2 mt -65.43 -36.56 84.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.409 ' CB ' ' HE1' ' A' ' 27' ' ' TYR . . . -67.14 -23.84 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.451 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 45.1 mtpt -71.94 -30.82 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.605 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.9 m -79.59 -29.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.109 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -60.74 -33.03 72.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.077 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 79.5 mtt180 -62.07 -38.4 88.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.052 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.26 -50.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.31 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.43 -20.48 66.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.609 0.242 . . . . 0.0 111.214 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.2 m -81.35 -50.49 9.43 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 70.5 p 174.16 112.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.122 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.428 ' HB ' HE22 ' B' ' 97' ' ' GLN . 15.1 t -71.86 -24.99 61.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.579 176.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 13.5 m -130.16 163.41 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.13 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -85.32 29.97 0.64 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.287 -176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -127.85 -77.13 0.57 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 105.32 0.37 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.197 -175.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' B' ' 93' ' ' ASN . 28.9 m -74.81 117.67 16.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.846 0.355 . . . . 0.0 111.3 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m 66.6 -178.76 0.2 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.35 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.86 -49.55 1.48 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.651 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -88.61 3.18 51.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.232 0.539 . . . . 0.0 111.343 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.421 ' C ' ' H ' ' B' ' 94' ' ' SER . 4.4 mpp? -124.91 -166.62 1.55 Allowed 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.407 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 3.6 t30 78.3 -35.41 0.19 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.885 0.874 . . . . 0.0 110.304 -175.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' ' 92' ' ' MET . 15.0 m -67.23 -31.79 72.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -176.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.73 -24.28 41.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.757 0.789 . . . . 0.0 109.072 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -39.46 67.56 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.462 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.651 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.82 -29.76 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.304 177.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.539 ' O ' HG22 ' B' ' 102' ' ' VAL . 4.5 mptp? -53.54 -54.31 39.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.311 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.04 -50.9 71.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -38.2 84.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.587 0.232 . . . . 0.0 111.344 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.24 80.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.539 HG22 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.57 -37.05 76.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.882 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.44 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 10.9 m-80 -61.02 -25.35 66.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.542 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.04 -44.15 40.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.88 -24.36 65.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 110.737 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 13.2 m120 -60.68 -25.9 66.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -97.5 -1.8 43.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.117 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' B' ' 72' ' ' HIS . 4.1 mm? -105.04 -15.05 15.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.308 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -91.96 169.06 10.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.287 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -54.03 121.94 9.1 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.439 0.462 . . . . 0.0 111.101 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.05 15.56 28.03 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.526 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.78 -133.43 4.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.32 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.509 HG13 ' H ' ' B' ' 114' ' ' HIS . 5.5 pt -130.38 -54.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.964 0.412 . . . . 0.0 110.738 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.509 ' H ' HG13 ' B' ' 113' ' ' ILE . 28.7 m170 -117.62 46.03 1.82 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.477 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 5.3 p90 -74.98 149.08 39.43 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.561 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.488 ' HB2' HG12 ' B' ' 119' ' ' ILE . 12.9 m120 -110.51 133.02 53.67 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.295 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.32 -25.2 67.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.442 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.504 ' HB1' HG11 ' B' ' 69' ' ' VAL . . . -74.77 -36.51 62.56 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.796 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' B' ' 116' ' ' ASN . 38.4 mm -68.16 -37.53 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.702 0.287 . . . . 0.0 110.925 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tp10 -58.41 -51.49 69.59 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -67.4 -34.79 77.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 65.2 t80 -52.61 -50.85 62.24 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 67.5 m -58.6 -48.7 80.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.126 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 82.9 mm-40 -63.66 -53.78 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.283 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.41 -37.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 110.702 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -65.67 -62.45 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.732 0.777 . . . . 0.0 110.155 179.076 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.14 -27.35 68.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.102 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 9.9 t70 -54.23 -50.09 67.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.365 0.602 . . . . 0.0 109.938 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.422 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.0 mmtp -78.67 -27.41 45.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.326 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.463 ' CD1' HD23 ' B' ' 126' ' ' LEU . 74.4 mt -63.18 -30.6 71.71 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 173.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.413 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 37.4 m-80 -94.83 -15.82 23.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.03 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.69 -4.52 57.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.211 0.529 . . . . 0.0 111.34 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.45 -22.2 4.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.706 0.765 . . . . 0.0 109.681 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' B' ' 131' ' ' ASN . 39.4 mtmt -81.89 104.9 12.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.165 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.06 146.38 70.5 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.703 2.269 . . . . 0.0 112.021 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.494 ' O ' ' HB2' ' A' ' 4' ' ' MET . 87.2 m-70 -82.7 112.13 19.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.773 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 88.5 mtp 70.98 162.28 0.24 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.91 0.756 . . . . 0.0 110.942 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -71.32 138.08 48.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.35 -178.45 2.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.075 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 27.0 m-80 -100.54 12.83 36.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -55.14 -52.71 62.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.8 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.0 p30 -58.04 -36.58 72.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -58.83 -48.87 79.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 0.0 110.012 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 20.8 mt-30 -62.81 -42.87 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.297 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 8' ' ' GLU . 3.2 mp -54.81 -41.17 70.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.848 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 89.0 mt -64.8 -48.87 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.239 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -68.02 -27.8 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.32 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.603 ' CD2' HD12 ' B' ' 126' ' ' LEU . 57.0 t80 -61.61 -59.43 5.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -53.53 -41.02 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.858 0.837 . . . . 0.0 110.257 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 45.3 ttt180 -58.13 -43.89 87.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.183 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -72.36 -31.72 65.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.816 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.82 -49.29 77.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.615 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.19 70.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.5 -31.31 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.71 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 m -111.08 7.1 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.359 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.06 32.34 39.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.221 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' B' ' 54' ' ' TYR . 95.6 mt -102.29 1.82 36.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.5 . . . . 0.0 110.607 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' B' ' 73' ' ' LEU . 54.5 tp -117.79 -4.89 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.856 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.59 145.55 53.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 111.441 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -148.67 177.45 9.49 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.483 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.46 104.16 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.12 137.19 35.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.434 -173.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 p -82.61 174.99 10.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.723 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -56.24 -38.47 71.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.725 0.298 . . . . 0.0 111.21 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.63 -42.69 64.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.64 -28.31 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.33 -31.68 38.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.344 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.49 -32.78 73.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.342 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.46 -24.69 7.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.436 . . . . 0.0 111.311 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' B' ' 71' ' ' PHE . 61.8 mt -94.79 -54.06 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.97 -17.95 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 0.0 110.871 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.53 2.18 83.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.354 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.532 179.728 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.053 0.454 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -119.81 -155.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.706 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.589 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -76.1 170.25 16.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.357 179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -114.38 163.86 14.74 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.0 mt -80.47 173.78 12.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.014 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -80.3 -54.34 5.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.408 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -83.39 130.05 35.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.953 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -70.15 -33.19 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.3 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.62 -9.29 48.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -106.06 -43.48 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.573 0.701 . . . . 0.0 109.493 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 24.8 t70 -56.7 -42.85 79.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.069 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.09 -35.93 76.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.45 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.5 mt -70.4 -44.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.697 0.284 . . . . 0.0 110.624 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.626 ' CE2' HD12 ' A' ' 24' ' ' LEU . 49.1 t80 -60.71 -25.59 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 32.3 mm-40 -87.28 -27.23 23.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.268 0.556 . . . . 0.0 110.465 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -103.03 31.54 4.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.52 ' HB2' ' CB ' ' B' ' 60' ' ' LEU . 22.8 p -136.26 78.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.172 0.51 . . . . 0.0 111.192 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.73 65.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 9.0 mm-40 -80.24 -30.17 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.52 ' CB ' ' HB2' ' B' ' 57' ' ' SER . 30.6 tp -83.77 -45.45 13.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.03 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -58.35 -26.35 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 9.7 pt-20 -73.54 -19.74 60.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.902 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.99 -35.76 25.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.29 -4.2 20.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.345 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 59.1 mtpt -81.11 -19.55 43.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.037 0.446 . . . . 0.0 110.198 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -89.73 133.84 34.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.643 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -76.11 -22.33 55.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.575 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 64.9 m -67.24 -37.96 84.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.88 0.848 . . . . 0.0 109.307 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.13 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.337 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -55.9 -33.05 64.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.096 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.555 ' CD2' HD11 ' A' ' 37' ' ' LEU . 46.3 t80 -59.76 -55.16 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.423 ' CG ' HD11 ' B' ' 108' ' ' LEU . 24.0 m80 -68.7 -30.14 68.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 -176.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.633 ' O ' HG23 ' B' ' 76' ' ' VAL . 89.9 mt -71.54 -36.54 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.467 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.11 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.032 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -63.24 -32.18 73.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 73' ' ' LEU . 2.7 m -82.1 -28.64 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.809 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 18.1 t80 -60.4 -31.43 70.36 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.185 177.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.871 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 60.1 mt -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.335 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -69.65 -14.68 62.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.489 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p -91.79 26.0 2.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.921 0.391 . . . . 0.0 110.305 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 27.5 t 74.26 159.53 0.22 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.026 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 12.2 t -74.99 -12.09 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -132.42 164.11 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.575 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -86.44 23.63 1.57 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.122 0.487 . . . . 0.0 111.249 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.84 -47.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.484 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.0 -34.68 5.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.032 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 51.0 p 49.24 99.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.129 0.972 . . . . 0.0 112.518 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.8 t -114.54 103.22 10.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.433 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.49 -60.4 0.19 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.696 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 92' ' ' MET . 22.5 pttp -106.55 42.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.9 0.381 . . . . 0.0 110.791 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' B' ' 91' ' ' LYS . 4.1 ptp 59.37 155.9 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.792 1.237 . . . . 0.0 113.215 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.647 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 3.1 t-20 179.89 -51.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.397 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 30.5 p -57.7 -36.42 71.96 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 26.6 t70 -81.8 -24.98 35.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.784 0.326 . . . . 0.0 110.753 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.1 pp -75.06 -30.4 61.0 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.1 mm100 -62.03 -31.83 72.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.975 174.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.578 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.6 mptt -53.53 -47.48 69.92 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.476 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.02 -50.11 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.642 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.63 75.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.495 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 98' ' ' LYS . 99.5 t -59.7 -38.21 74.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.31 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.424 ' O ' HD22 ' B' ' 108' ' ' LEU . 3.7 m-85 -74.63 -49.84 19.99 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.606 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.78 -25.27 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.58 -14.31 62.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.288 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.4 p -103.88 -3.44 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.118 0.485 . . . . 0.0 109.887 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.488 ' HB3' HG23 ' B' ' 119' ' ' ILE . 3.9 mm? -101.98 -17.08 16.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.957 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -72.06 160.86 31.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.481 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -53.66 113.79 1.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.332 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.11 22.6 7.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.466 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.74 -155.98 30.01 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.082 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.93 -44.5 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -119.47 34.96 5.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.3 p90 -73.82 151.2 40.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.942 -172.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' B' ' 119' ' ' ILE . 13.6 m120 -119.31 137.6 53.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.27 -177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.78 -27.73 66.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.582 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.95 -32.24 30.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.268 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' B' ' 108' ' ' LEU . 28.1 mm -70.62 -37.7 70.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 110.698 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 18.7 tp10 -60.68 -45.89 92.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.135 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . 0.516 ' CD1' HD12 ' B' ' 60' ' ' LEU . 78.4 t80 -50.48 -56.7 10.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.25 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.2 -37.81 88.81 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.966 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 79.4 mm-40 -65.84 -53.6 37.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.04 -37.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.337 0.589 . . . . 0.0 110.548 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.603 HD12 ' CD2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -67.11 -63.34 1.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.848 -178.088 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.4 pp -61.69 -27.23 68.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.836 -172.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -53.25 -46.95 69.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.286 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.45 ' CB ' HG12 ' B' ' 53' ' ' ILE . 55.0 mmtt -84.23 -22.54 30.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.831 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.482 ' O ' HG13 ' B' ' 133' ' ' VAL . 92.0 mt -71.33 -30.58 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.311 0.577 . . . . 0.0 110.358 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.482 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 12.2 m-80 -77.66 -24.8 49.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.217 0.532 . . . . 0.0 110.135 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.06 13.27 17.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.19 -0.913 . . . . 0.0 112.323 -175.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.482 HG13 ' O ' ' B' ' 130' ' ' LEU . 7.3 p -113.47 -32.06 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.253 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 131' ' ' ASN . 18.6 pttp -73.68 123.98 25.1 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 11.6 mptt . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.587 -0.72 . . . . 0.0 110.44 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.26 116.05 4.51 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.106 2.537 . . . . 0.0 112.125 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -79.17 99.06 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.59 30.61 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.168 0.508 . . . . 0.0 111.723 -172.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -137.7 144.81 41.94 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.495 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.87 33.77 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.86 -1.08 57.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 -173.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 12' ' ' LEU . 9.4 pt-20 -55.22 -42.82 73.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.542 172.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.817 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 37.9 m-80 -58.33 -39.41 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.429 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -54.16 -42.61 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.399 0.437 . . . . 0.0 110.807 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 11' ' ' GLN . 7.1 mt-30 -74.83 -39.87 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 8' ' ' GLU . 7.7 mp -56.44 -42.1 77.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.997 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 62.2 mt -57.66 -53.78 54.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.248 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.8 m-20 -65.41 -34.99 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -59.61 -57.96 10.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 76.2 mt -58.9 -36.56 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.514 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 31.6 ttt180 -61.03 -42.64 98.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.02 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 60.2 mt-10 -62.0 -36.97 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.23 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.8 mp -55.0 -51.46 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 -25.5 73.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.237 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.42 -36.73 74.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.201 0.5 . . . . 0.0 111.104 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -95.5 -18.73 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.157 0.503 . . . . 0.0 110.723 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.89 5.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.201 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.2 mt -88.45 -11.89 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.184 0.516 . . . . 0.0 110.049 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 74' ' ' ALA . 6.9 mt -99.04 -10.97 21.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.814 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.42 121.45 7.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.871 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 53.7 p90 -130.88 170.95 13.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.216 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -150.2 117.17 5.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.0 mt -99.2 133.43 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.124 0.488 . . . . 0.0 111.46 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -93.38 171.72 8.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.267 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -54.62 -40.72 69.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.867 0.365 . . . . 0.0 111.455 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.35 -38.58 74.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.149 0.499 . . . . 0.0 110.388 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 mm-40 -71.03 -25.03 62.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.79 -31.95 31.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.67 -33.73 75.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.137 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.12 -21.53 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.223 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 53.5 mt -94.81 -55.02 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.2 0.524 . . . . 0.0 110.956 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -79.89 -19.4 48.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.718 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.01 -1.74 90.65 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.051 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.358 -179.622 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.409 ' HG3' ' OD1' ' B' ' 42' ' ' ASN . 21.8 ptp . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 111.506 0.188 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.409 ' OD1' ' HG3' ' B' ' 41' ' ' MET . 19.8 m120 -137.51 -165.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.205 0.526 . . . . 0.0 111.355 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.473 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -98.23 170.38 8.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.786 -175.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -108.68 170.22 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 44.8 mt -82.83 176.61 9.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.146 0.498 . . . . 0.0 111.625 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.06 -52.2 5.57 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.431 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -80.92 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.542 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.472 ' HB2' ' HZ1' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -66.01 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -175.532 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.61 84.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -73.11 -47.56 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.111 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -55.97 -36.66 68.08 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.41 -49.25 72.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.157 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.93 -41.14 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.55 -33.36 71.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 74.9 mm-40 -85.69 -23.56 27.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -103.68 22.22 14.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.195 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -147.27 102.21 3.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.922 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -24.95 53.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.48 -20.16 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.48 -33.44 28.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -69.9 -41.77 74.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.07 -25.95 68.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.756 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 52.4 mt -67.04 -28.77 68.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.69 -4.63 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.444 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -84.2 -12.82 54.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.0 110.077 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -89.37 126.95 35.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.832 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.25 -26.07 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.41 HG21 ' CD2' ' A' ' 37' ' ' LEU . 61.2 m -76.63 -35.69 57.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.703 0.764 . . . . 0.0 110.304 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 59.3 t -77.4 -53.91 13.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.484 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.518 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 35.4 ttpt -59.84 -32.59 70.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.572 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 62.9 t80 -59.96 -54.52 45.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 175.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -66.89 -29.21 69.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.886 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.635 ' O ' HG21 ' B' ' 76' ' ' VAL . 90.1 mt -71.78 -45.05 62.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.79 0.329 . . . . 0.0 110.661 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -66.35 -18.91 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.647 0.261 . . . . 0.0 111.482 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.7 mmmt -63.19 -37.53 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.474 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.635 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.6 m -79.98 -27.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.1 t80 -56.73 -40.87 76.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.003 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -61.29 -28.11 68.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.648 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -75.66 -41.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.994 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.51 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -71.94 -13.98 61.79 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.761 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.6 t -94.57 22.19 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.775 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t 71.97 133.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.541 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.6 t -64.3 -18.21 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.429 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' B' ' 86' ' ' ASP . 14.2 m -131.83 148.48 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.094 178.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . 0.402 HD21 ' N ' ' B' ' 85' ' ' ASN . 0.1 OUTLIER -73.08 9.9 1.09 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.093 0.473 . . . . 0.0 111.691 -177.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' B' ' 84' ' ' VAL . 26.1 t70 -73.58 -41.64 62.62 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.764 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.98 64.93 3.9 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.5 m -58.51 107.66 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.449 0.642 . . . . 0.0 110.731 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.0 m -104.58 133.38 49.54 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.576 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.39 2.18 63.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.251 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.422 ' NZ ' ' HB2' ' B' ' 91' ' ' LYS . 0.0 OUTLIER -143.55 53.56 1.33 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.122 0.487 . . . . 0.0 110.463 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.494 ' CG ' ' HB3' ' B' ' 95' ' ' ASP . 50.4 ttm 58.65 -102.13 0.14 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.479 176.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.511 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 3.0 t-20 66.57 -62.38 0.28 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.27 0.628 . . . . 0.0 112.281 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -57.42 -36.18 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.719 0.295 . . . . 0.0 111.001 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.494 ' HB3' ' CG ' ' B' ' 92' ' ' MET . 12.2 t70 -63.3 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.84 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -71.81 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.1 mm100 -62.53 -34.03 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.525 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.529 ' O ' HG22 ' B' ' 102' ' ' VAL . 13.2 mptt -58.16 -44.73 88.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.506 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.24 -49.3 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.54 -34.94 76.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.23 79.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.429 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.529 HG22 ' O ' ' B' ' 98' ' ' LYS . 85.6 t -59.97 -37.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.496 177.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -53.48 -39.94 64.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.201 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.524 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 2.7 m-85 -66.93 -48.75 67.64 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.78 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.1 mm? -61.84 -34.89 76.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.898 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -64.42 -31.38 72.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.674 0.273 . . . . 0.0 111.314 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -83.65 -8.99 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.636 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 81.6 mt -105.22 1.3 28.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.661 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 16.1 mmt180 -77.35 173.75 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -58.39 124.02 18.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.01 29.09 23.99 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.495 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.69 -153.09 28.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.081 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 pt -115.62 -48.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.567 0.222 . . . . 0.0 111.394 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.61 39.7 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.05 150.95 33.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.051 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.519 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.4 m120 -117.69 136.44 53.34 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.706 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 10.8 pt-20 -57.05 -28.34 62.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.061 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -82.45 -22.56 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.496 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.519 HG12 ' HB2' ' B' ' 116' ' ' ASN . 22.9 mm -71.78 -41.57 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 9.5 tp10 -63.63 -44.32 94.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 78.2 mm-40 -59.36 -43.41 92.83 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.359 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -53.42 -53.79 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.011 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.04 -47.82 83.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.926 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 84.0 mm-40 -64.44 -50.48 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.895 -175.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.51 -42.44 95.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.201 0.524 . . . . 0.0 110.553 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -69.18 -51.56 36.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.707 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.92 -27.61 68.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 110.05 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.68 -44.86 96.01 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -82.33 -28.27 31.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.65 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 68.6 mt -66.29 -38.54 87.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.387 . . . . 0.0 110.573 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -82.2 -14.41 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.699 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.31 -0.69 56.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.705 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.83 -30.02 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.985 0.422 . . . . 0.0 110.869 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 21.1 ptmt -86.77 85.97 7.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.574 0.702 . . . . 0.0 111.449 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.81 177.506 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.67 140.31 46.64 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.786 2.324 . . . . 0.0 111.913 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -73.16 100.97 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 45.4 mtm -89.49 135.28 33.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.181 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -78.26 126.15 30.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.34 165.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.396 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -116.51 0.18 12.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -58.83 -49.23 78.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 177.073 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.78 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 4.9 p30 -53.82 -41.47 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.393 0.433 . . . . 0.0 111.305 175.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -57.9 -39.6 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.786 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.52 ' NE2' ' HB3' ' B' ' 130' ' ' LEU . 6.8 mt-30 -80.91 -35.71 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.533 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 92.9 mt -57.97 -45.3 86.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.089 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -60.69 -52.06 66.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.474 -173.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.95 -23.29 63.16 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.178 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CE2' HD12 ' B' ' 126' ' ' LEU . 49.2 t80 -67.02 -49.57 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.65 -34.52 62.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.746 0.784 . . . . 0.0 109.782 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.6 ttt180 -63.54 -47.76 80.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.55 -37.31 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.57 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 tp -51.65 -56.59 12.78 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.091 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.61 -15.75 79.22 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -37.89 66.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.058 0.429 . . . . 0.0 110.978 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.71 -16.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 37.07 3.99 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.81 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD12 ' CE2' ' B' ' 54' ' ' TYR . 94.8 mt -99.24 -4.48 31.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.551 0.691 . . . . 0.0 109.447 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' B' ' 73' ' ' LEU . 40.7 tp -115.49 -2.43 12.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.664 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.03 138.81 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.858 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.18 173.55 11.84 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.925 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.93 128.35 9.95 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.74 128.22 54.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -83.42 171.42 13.48 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.22 -39.65 72.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.222 0.465 . . . . 0.0 110.983 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.72 -41.55 78.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.45 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.85 -32.8 34.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.251 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 22.0 t70 -64.35 -31.68 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.298 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -82.0 -21.15 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.817 0.341 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD12 ' CD2' ' B' ' 71' ' ' PHE . 67.0 mt -94.49 -55.02 3.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.456 . . . . 0.0 111.12 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -83.2 -26.66 30.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.555 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 64.73 17.11 62.26 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.051 -0.977 . . . . 0.0 113.499 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.851 -0.595 . . . . 0.0 109.595 -177.436 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -100.12 -161.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.259 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -85.2 -179.12 6.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.777 -178.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.438 HG22 ' NE2' ' B' ' 55' ' ' GLN . 0.9 OUTLIER -136.55 163.03 31.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.44 177.532 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 56.7 mt -79.86 171.93 14.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.252 0.548 . . . . 0.0 110.609 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.92 -29.05 13.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.351 -173.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -96.01 125.36 40.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.815 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.935 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -7.3 43.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.54 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.51 -40.95 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.112 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -60.18 -37.64 80.83 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.309 -176.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -37.61 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.26 -40.25 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.948 0.404 . . . . 0.0 110.326 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.525 ' CE2' HD12 ' A' ' 24' ' ' LEU . 56.7 t80 -62.4 -27.28 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.9 mm-40 -93.33 -33.88 13.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.643 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.2 -32.55 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.907 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -102.25 89.47 3.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.613 0.72 . . . . 0.0 110.367 -175.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.6 59.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.57 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.414 ' HG3' HG22 ' B' ' 125' ' ' ILE . 10.9 pt-20 -77.91 -18.87 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.52 0.676 . . . . 0.0 109.562 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.61 -33.18 36.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.655 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -72.64 -38.3 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.029 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.17 -30.26 68.05 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -71.73 -38.09 70.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.118 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.33 13.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.616 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.4 -7.11 26.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.097 0.475 . . . . 0.0 109.738 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -96.14 126.29 41.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.39 -21.74 63.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.473 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -67.49 -47.29 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 109.091 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' B' ' 118' ' ' ALA . 97.2 t -60.16 -59.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.739 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -56.75 -33.85 66.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.08 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.416 ' CD2' HD12 ' A' ' 37' ' ' LEU . 34.3 t80 -62.64 -51.43 67.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 111.096 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -65.97 -36.31 82.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.614 ' O ' HG21 ' B' ' 76' ' ' VAL . 94.4 mt -70.43 -37.66 74.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.32 69.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -63.94 -32.17 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.614 HG21 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -80.95 -32.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.7 t80 -58.6 -40.3 82.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.651 178.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 78' ' ' ARG . 20.5 mtm180 -61.42 -31.63 71.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.332 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -70.18 -49.11 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 76' ' ' VAL . 1.5 mm? -57.25 -26.6 61.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.671 0.272 . . . . 0.0 111.552 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p -89.73 -50.14 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 34.8 m -162.16 122.09 2.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 111.504 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.565 ' HB ' HE22 ' B' ' 97' ' ' GLN . 8.2 t -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.97 -175.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.023 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -77.2 11.45 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -172.95 -90.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.135 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.55 28.24 30.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.81 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -91.85 118.44 30.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.3 m -153.56 18.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.798 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.91 31.27 79.09 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.887 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -125.91 33.71 5.02 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 120.626 0.251 . . . . 0.0 110.406 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.436 ' SD ' ' HB2' ' B' ' 95' ' ' ASP . 30.9 ttm 70.42 -42.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 124.15 0.906 . . . . 0.0 112.635 176.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 4.3 t-20 72.29 -62.9 0.45 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.851 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.9 t -58.42 -30.38 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.134 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.436 ' HB2' ' SD ' ' B' ' 92' ' ' MET . 19.5 t70 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.65 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -25.53 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.63 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -70.2 -24.42 63.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.612 ' O ' HG22 ' B' ' 102' ' ' VAL . 0.5 OUTLIER -57.81 -45.74 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.592 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -53.67 -59.33 4.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.112 0.482 . . . . 0.0 110.572 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.57 -32.99 73.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.069 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.7 80.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.604 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.612 HG22 ' O ' ' B' ' 98' ' ' LYS . 59.4 t -61.76 -34.22 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -57.97 -26.13 61.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.144 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -84.2 -39.99 18.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.576 0.226 . . . . 0.0 110.473 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.613 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.9 mm? -65.42 -31.75 73.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.388 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -32.64 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -86.08 -1.59 57.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.72 0.295 . . . . 0.0 110.825 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.1 mt -113.63 0.44 14.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.459 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 21.4 mmm-85 -91.39 162.95 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.53 123.18 7.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.765 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.46 57.23 1.67 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.684 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.06 -168.85 11.39 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.57 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.53 -44.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -130.38 38.92 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.496 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -75.93 137.5 40.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.442 0.639 . . . . 0.0 111.066 -173.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.419 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.7 m120 -114.95 142.69 46.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.19 -0.913 . . . . 0.0 108.9 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.5 -27.8 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.777 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.421 ' HB3' HG23 ' B' ' 69' ' ' VAL . . . -71.53 -27.49 63.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.777 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' B' ' 108' ' ' LEU . 27.0 mm -75.79 -39.83 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 109.842 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.74 -43.72 79.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.968 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.43 -44.6 80.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.907 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 79.1 t80 -52.79 -56.76 13.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.235 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.8 m -55.95 -49.72 72.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -65.41 -56.31 13.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.733 -174.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.414 HG22 ' HG3' ' B' ' 59' ' ' GLU . 84.6 mt -59.1 -41.17 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 110.814 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 15' ' ' PHE . 38.1 tp -70.56 -51.56 27.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.327 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.423 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.0 pp -65.64 -27.39 68.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.98 -48.46 78.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.099 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -80.09 -32.22 39.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.455 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.52 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 67.8 mt -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.24 -6.83 52.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.15 -8.98 58.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 111.12 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.28 -24.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.457 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 14.7 mmmm -61.06 130.6 47.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.733 178.736 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.79 129.93 3.6 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.652 2.235 . . . . 0.0 112.776 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 59.03 93.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.442 0.639 . . . . 0.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.5 ptm -89.27 147.56 24.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -80.61 136.86 36.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.94 -179.23 3.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.62 16.38 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.62 ' O ' HD13 ' A' ' 12' ' ' LEU . 8.6 pt-20 -60.21 -43.1 96.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.786 174.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.745 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 22.2 m-80 -60.51 -39.41 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.252 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.88 -43.69 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 11' ' ' GLN . 7.5 mt-30 -70.84 -39.98 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.207 0.527 . . . . 0.0 109.97 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.8 mp -58.68 -42.85 89.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.101 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -59.01 -52.17 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.815 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.17 -28.75 66.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.233 0.539 . . . . 0.0 110.256 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' B' ' 126' ' ' LEU . 51.8 t80 -62.86 -52.78 61.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.034 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.5 -33.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.049 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 30.0 ttt180 -60.58 -49.98 75.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.752 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.17 -36.47 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.439 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.3 tp -51.86 -52.92 46.1 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.145 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.0 -19.91 78.21 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.914 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.18 -34.6 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.9 m -92.68 -19.07 6.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.22 27.64 6.82 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.662 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD11 ' CE2' ' B' ' 54' ' ' TYR . 82.1 mt -98.65 -13.7 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.529 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -97.78 -22.75 16.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.11 150.94 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.822 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -148.99 177.12 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.069 0.461 . . . . 0.0 111.501 -168.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.86 132.01 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' B' ' 71' ' ' PHE . 93.3 mt -116.82 132.54 56.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.983 0.42 . . . . 0.0 111.604 -176.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -81.25 169.43 17.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 174.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -53.51 -44.33 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -63.77 -44.01 94.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.628 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 mt-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -76.84 -28.86 55.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.127 0.489 . . . . 0.0 110.414 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.07 -32.17 66.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.66 -25.13 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.794 0.331 . . . . 0.0 111.576 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.7 mt -94.2 -51.43 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.65 0.262 . . . . 0.0 111.562 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -80.58 -34.22 35.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 0.0 109.635 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.52 -13.68 66.74 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.615 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.248 1.008 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.695 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.675 0.274 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -102.41 -165.5 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.489 ' H ' HD22 ' A' ' 24' ' ' LEU . 32.4 mmtt -76.87 -175.28 3.41 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.518 0.675 . . . . 0.0 110.793 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.07 163.57 33.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.973 174.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -77.64 170.03 17.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.021 0.439 . . . . 0.0 110.48 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -98.43 -31.34 12.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.264 -172.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -95.69 124.54 39.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.009 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.2 -32.69 73.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.28 62.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.98 -40.37 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.74 -35.56 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.193 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.92 -46.94 74.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.481 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.6 mp -67.26 -40.26 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.239 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.521 ' CE2' HD11 ' A' ' 24' ' ' LEU . 59.3 t80 -58.81 -38.51 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.409 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.06 -31.26 39.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.322 0.582 . . . . 0.0 110.979 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.31 29.78 3.44 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.549 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -147.31 82.94 1.55 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.214 0.53 . . . . 0.0 110.82 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.76 -27.52 65.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' B' ' 125' ' ' ILE . 13.3 pt-20 -70.06 -23.63 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.316 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.55 -45.51 12.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.573 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.617 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -59.04 -28.43 66.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.901 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.25 -23.34 60.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.404 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -77.32 -27.27 52.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 109.65 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.73 5.61 17.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.768 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -91.32 -12.55 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.115 0.483 . . . . 0.0 109.733 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -87.29 124.81 33.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.606 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -73.36 -21.89 60.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.876 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 40.5 m -69.17 -46.3 67.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.646 0.736 . . . . 0.0 109.052 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.412 HG12 HD12 ' B' ' 119' ' ' ILE . 97.5 t -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.101 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -54.98 -34.61 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.794 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' A' ' 29' ' ' LEU . 56.3 t80 -60.76 -50.44 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -69.38 -37.29 77.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.867 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.648 ' O ' HG23 ' B' ' 76' ' ' VAL . 89.7 mt -67.46 -34.5 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.731 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.91 -30.54 71.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.857 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.415 ' O ' HG13 ' B' ' 79' ' ' ILE . 50.0 mtpt -66.43 -27.47 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.713 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 73' ' ' LEU . 1.6 m -83.2 -33.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.6 t80 -59.99 -41.23 91.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.108 0.48 . . . . 0.0 109.935 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 96.9 mtt180 -57.89 -36.9 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.288 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 75' ' ' LYS . 79.1 mt -64.06 -54.82 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.104 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.52 -30.21 62.78 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.776 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t -76.38 -51.67 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -175.13 116.07 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.919 0.487 . . . . 0.0 110.743 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.4 t -92.85 -25.1 18.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.13 158.35 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.27 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -95.46 29.88 2.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.185 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.47 -61.63 1.75 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.077 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.68 62.68 2.78 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.214 -0.993 . . . . 0.0 111.383 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -59.22 116.79 4.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.936 0.398 . . . . 0.0 110.432 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -102.72 -8.5 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.537 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.24 -27.86 10.41 Favored Glycine 0 C--N 1.316 -0.558 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.6 100.62 5.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 5.2 ptp -34.62 118.76 0.42 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.284 0.99 . . . . 0.0 112.78 -174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.525 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 0.2 OUTLIER -75.23 -27.58 59.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.953 -171.075 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 42.5 t -60.63 -44.66 96.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.29 -35.14 79.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.795 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.2 pp -77.04 -28.72 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.313 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 11.7 mm100 -61.01 -34.27 74.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.986 176.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.497 ' O ' HG22 ' B' ' 102' ' ' VAL . 14.2 mptt -62.22 -36.38 81.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.747 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.89 -57.59 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 109.784 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.38 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.937 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.13 -52.31 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.497 HG22 ' O ' ' B' ' 98' ' ' LYS . 75.2 t -61.28 -32.27 52.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.978 0.418 . . . . 0.0 110.783 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.1 -30.63 66.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.0 -42.18 27.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.804 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -61.6 -34.71 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.816 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . 0.414 ' ND2' HG12 ' B' ' 102' ' ' VAL . 19.4 m-80 -61.37 -32.57 72.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.407 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -81.87 -6.25 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.612 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 89.6 mt -110.0 -2.82 16.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.801 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 58.7 mtp180 -109.79 -174.13 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.503 ' CE2' ' HG2' ' B' ' 120' ' ' GLU . 21.2 m-85 -51.76 116.72 2.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.76 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.28 32.57 7.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.655 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.78 -160.02 24.72 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.03 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 pt -115.45 -38.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 -176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -124.93 40.73 3.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.612 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -81.88 141.05 33.74 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.063 -170.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.464 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.3 m120 -116.84 147.77 41.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.12 -28.88 70.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.768 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.34 56.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.517 HG23 ' CB ' ' B' ' 108' ' ' LEU . 23.6 mm -69.58 -43.05 80.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.503 ' HG2' ' CE2' ' B' ' 110' ' ' TYR . 17.2 tp10 -63.64 -46.58 85.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.775 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -62.29 -37.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.538 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -52.15 64.77 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 60.7 m -59.05 -49.35 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.456 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 85.2 mm-40 -62.36 -52.89 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.551 -175.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 92.7 mt -65.11 -41.59 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.921 0.391 . . . . 0.0 111.328 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.4 tp -66.77 -51.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' B' ' 130' ' ' LEU . 2.0 pp -66.84 -26.62 67.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 25.4 t70 -54.54 -50.18 68.51 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.326 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.481 ' HB2' HG12 ' B' ' 53' ' ' ILE . 47.3 mmtt -79.29 -34.67 42.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.096 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' B' ' 127' ' ' LEU . 72.2 mt -64.51 -25.8 68.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -100.19 -11.38 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.765 0.317 . . . . 0.0 110.99 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.63 -5.26 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.33 0.586 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.67 -20.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.627 0.727 . . . . 0.0 109.997 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.8 71.52 7.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.113 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.777 177.014 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.87 15.02 1.18 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.872 2.381 . . . . 0.0 113.167 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 62.24 -172.72 0.15 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptm -141.17 -173.75 3.82 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.365 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.12 140.13 32.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.931 0.396 . . . . 0.0 109.941 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.4 169.66 9.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.852 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -75.54 2.16 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.653 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.0 pt-20 -55.19 -37.69 67.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.753 170.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.4 m-80 -60.94 -29.72 69.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.984 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -65.72 -28.27 68.93 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.777 0.322 . . . . 0.0 110.14 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.53 -35.44 58.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD11 HD13 ' B' ' 126' ' ' LEU . 4.5 mm? -56.65 -48.66 77.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 27.9 mt -59.03 -54.81 42.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.385 -174.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 20.0 m-20 -66.42 -30.4 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.096 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' HD12 ' A' ' 19' ' ' LEU . 77.9 t80 -63.65 -57.58 9.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 110.011 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.23 -35.69 59.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.506 0.669 . . . . 0.0 110.223 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.5 ttt180 -58.96 -43.71 91.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.924 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.5 mt-10 -71.84 -34.5 69.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.181 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 8.6 mp -54.38 -53.71 50.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 175.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.61 83.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.928 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.37 -35.95 82.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.763 0.316 . . . . 0.0 111.504 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 18' ' ' GLU . 31.3 m -96.46 -5.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 0.0 110.551 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.63 31.17 13.54 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.536 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' B' ' 54' ' ' TYR . 81.4 mt -100.48 0.33 39.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.29 0.566 . . . . 0.0 110.356 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 38.3 tp -113.89 -10.29 12.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.238 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.31 131.15 49.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.148 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.52 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -152.14 103.04 2.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -85.17 145.02 27.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.217 0.532 . . . . 0.0 111.782 -172.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -84.58 169.27 14.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.163 171.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.25 -39.62 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.059 0.39 . . . . 0.0 111.114 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.83 -40.82 92.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -67.39 -27.25 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.404 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -81.1 -32.54 33.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.141 0.496 . . . . 0.0 110.249 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.16 -35.32 80.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.14 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.95 -22.84 12.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 55.2 mt -94.89 -54.45 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.928 0.394 . . . . 0.0 111.184 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.12 -29.54 60.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.285 0.564 . . . . 0.0 109.913 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.99 -25.16 32.61 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.244 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.48 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.427 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 19.7 m120 -130.89 159.85 36.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.041 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' B' ' 43' ' ' LYS . 2.8 mppt? -68.66 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.247 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -108.82 174.59 5.8 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.649 174.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 37.7 mt -84.61 175.43 9.25 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.524 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -85.23 -48.6 8.95 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.347 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 24.6 m -85.48 125.77 33.31 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.65 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.85 -32.12 72.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -22.58 66.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.686 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.1 -46.44 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.106 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.441 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 34.8 t70 -53.48 -39.09 64.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.348 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.25 -53.34 17.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.424 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' B' ' 129' ' ' LYS . 5.3 mp -67.99 -40.96 84.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.431 ' CE2' HD13 ' A' ' 24' ' ' LEU . 85.9 t80 -60.73 -36.44 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.892 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.9 mm-40 -83.26 -20.47 34.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 0.0 110.336 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -113.7 31.88 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.2 m -139.74 85.64 2.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.174 0.511 . . . . 0.0 110.906 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.73 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.646 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.89 -23.05 39.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 tp -84.48 -47.85 10.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.28 -28.89 60.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.164 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.37 -20.43 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.86 -37.47 55.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.213 0.53 . . . . 0.0 109.633 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.77 -13.97 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.147 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.17 -15.1 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.654 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -92.93 131.46 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -74.81 -16.43 60.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -68.18 -33.22 74.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.94 0.876 . . . . 0.0 109.305 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.406 HG21 ' HB1' ' B' ' 118' ' ' ALA . 97.4 t -74.31 -55.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.163 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -47.78 -46.92 30.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.878 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 60.8 t80 -55.44 -51.66 66.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.551 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -70.65 -32.89 70.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.398 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.635 ' O ' HG21 ' B' ' 76' ' ' VAL . 87.7 mt -73.54 -35.83 65.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.008 0.432 . . . . 0.0 110.59 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.88 -33.5 75.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.857 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.5 mtpt -62.68 -32.12 73.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.635 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.1 m -81.34 -32.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.4 t80 -62.05 -40.43 95.74 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 41.3 mtm180 -59.72 -25.7 65.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.227 0.537 . . . . 0.0 110.805 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.5 -53.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.049 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.4 -26.24 66.53 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 p -86.73 -21.68 26.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.368 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.0 p -175.29 111.28 0.12 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.622 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.627 ' HB ' ' NE2' ' B' ' 97' ' ' GLN . 3.6 t -80.64 -47.26 14.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.321 . . . . 0.0 110.373 176.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.0 155.12 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . 0.417 HD21 ' C ' ' B' ' 85' ' ' ASN . 0.3 OUTLIER -81.69 35.6 0.42 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.136 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.22 -27.49 6.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.22 6.72 56.63 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.66 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.8 m 65.62 125.5 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.716 0.769 . . . . 0.0 112.461 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 18.7 t -92.5 157.89 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.278 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.15 9.85 59.0 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.916 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 66.29 7.63 5.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.356 0.662 . . . . 0.0 111.811 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 20.1 ptm -110.77 154.69 23.58 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.6 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.6 t-20 -159.61 -67.65 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.236 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 59.4 m -59.22 -31.46 69.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.76 -31.6 65.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.179 0.514 . . . . 0.0 110.2 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -30.74 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.223 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' HB ' ' B' ' 83' ' ' THR . 0.1 OUTLIER -61.7 -39.28 90.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.512 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.58 ' O ' HG22 ' B' ' 102' ' ' VAL . 5.8 mptp? -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.761 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.88 -57.62 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.95 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.34 -40.57 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.147 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 13' ' ' LEU . . . -63.02 -46.2 88.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.58 HG22 ' O ' ' B' ' 98' ' ' LYS . 94.6 t -62.19 -35.06 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.687 0.28 . . . . 0.0 110.827 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -56.15 -30.43 62.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.538 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.433 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.2 m-85 -74.6 -47.02 34.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.64 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.28 -29.39 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.34 -32.44 73.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 73.2 p -83.35 -9.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.748 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.458 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 80.5 mt -102.62 0.47 33.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -85.77 165.9 16.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.895 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -54.66 112.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.558 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.16 25.19 7.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.89 -152.99 25.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.964 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.2 pt -107.99 -49.3 7.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.759 0.314 . . . . 0.0 111.462 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -121.57 46.22 2.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.458 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -82.18 142.75 31.92 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.913 -171.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.482 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.1 m120 -118.06 135.05 54.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.582 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 0.3 OUTLIER -57.65 -30.74 65.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.344 178.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' B' ' 122' ' ' PHE . . . -70.25 -27.19 64.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' B' ' 116' ' ' ASN . 32.2 mm -79.86 -41.84 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 109.935 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.3 tp10 -59.87 -51.0 71.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 44.1 mm-40 -65.21 -35.87 82.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.407 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' B' ' 118' ' ' ALA . 57.8 t80 -54.46 -52.62 61.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.09 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . 0.402 ' HA ' HD13 ' A' ' 12' ' ' LEU . 65.2 m -56.81 -45.6 82.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.765 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 65.6 mm-40 -67.87 -53.75 24.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.59 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.19 -39.58 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.299 0.571 . . . . 0.0 110.841 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 12' ' ' LEU . 1.9 tm? -75.79 -59.98 2.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.704 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.462 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.7 pp -59.11 -30.59 68.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 -175.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.5 t70 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.36 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.433 ' HB2' HG12 ' B' ' 53' ' ' ILE . 59.8 mmtt -81.83 -29.82 32.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.15 -23.9 62.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.259 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -94.19 -10.11 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.675 174.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.72 -13.81 44.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.098 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -90.57 -22.67 6.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.609 0.719 . . . . 0.0 109.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -73.66 117.13 15.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.65 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 173.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.36 106.2 0.99 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.943 2.429 . . . . 0.0 112.079 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 63.08 90.73 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.239 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ptm -152.87 177.78 10.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.762 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -70.61 148.99 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 0.0 109.968 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.48 158.69 19.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.947 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.492 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 8.2 m-80 -90.62 9.82 28.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.455 -173.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.2 pt-20 -54.4 -43.71 71.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.13 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.716 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.4 p30 -65.41 -37.34 86.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.024 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -62.6 -37.13 85.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.215 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 20.9 mt-30 -64.99 -44.09 90.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 174.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 60.2 mt -55.86 -43.55 77.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.849 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 83.3 mt -62.26 -50.68 70.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.261 -173.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 18.9 m-20 -68.2 -24.58 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 110.831 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.0 t80 -67.06 -56.17 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.696 175.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 ' HA ' HD11 ' A' ' 19' ' ' LEU . 65.5 mt -54.38 -40.17 47.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.704 0.764 . . . . 0.0 110.212 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 63.2 ttt180 -58.46 -47.95 82.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.707 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 71.6 mt-10 -68.14 -33.75 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.326 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.573 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 89.9 mt -58.99 -51.46 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.258 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 -27.4 73.42 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.203 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 17.2 m -102.27 -11.37 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 23.5 18.43 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.537 -0.84 . . . . 0.0 113.39 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.537 HD22 ' H ' ' B' ' 43' ' ' LYS . 88.6 mt -95.42 -25.31 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.754 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.573 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 3.1 tm? -85.95 -24.12 26.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.784 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.66 139.28 16.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.44 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -142.92 176.25 9.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -153.19 121.01 6.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 75.5 mt -106.71 159.78 15.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.553 -178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.609 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -113.71 174.64 5.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -54.8 -33.98 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.32 -54.23 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.098 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' HG2' ' H ' ' A' ' 30' ' ' SER . 1.9 pm0 -70.62 -18.91 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.41 -28.59 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.441 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.85 -33.93 74.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.172 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.3 -21.81 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.948 0.404 . . . . 0.0 111.497 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' B' ' 71' ' ' PHE . 59.1 mt -94.8 -53.04 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.924 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.42 -27.43 56.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.664 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.11 37.48 2.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.141 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.381 179.113 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.782 0.325 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -128.08 -165.47 1.49 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.537 ' H ' HD22 ' A' ' 24' ' ' LEU . 43.6 mmtt -72.36 -176.2 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.61 0.719 . . . . 0.0 111.62 -173.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.406 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.47 161.34 36.61 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.398 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.469 HD23 HD22 ' A' ' 19' ' ' LEU . 21.8 mt -73.45 173.84 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.515 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -90.69 -49.22 6.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.6 m -91.24 129.82 37.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.236 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -68.2 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.763 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 -8.75 35.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.426 . . . . 0.0 111.033 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.21 -42.34 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.3 t70 -57.76 -36.24 71.84 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.023 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -53.42 -46.41 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.21 -42.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.01 -31.51 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.009 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 66.7 mm-40 -89.14 -18.52 27.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.983 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -112.16 31.58 6.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -176.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.2 m -146.6 85.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.278 0.561 . . . . 0.0 111.198 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.58 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.29 -19.48 61.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.193 0.521 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -84.2 -44.39 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.71 -29.52 62.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.086 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.01 -21.47 56.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.749 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 mt -75.98 -29.15 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.165 0.507 . . . . 0.0 109.955 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 2.39 23.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.963 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -85.05 -18.04 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.426 . . . . 0.0 110.095 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.15 129.95 37.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.44 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 92.4 m-20 -73.05 -23.24 60.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.599 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -71.77 -30.8 65.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.847 0.832 . . . . 0.0 109.661 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' B' ' 118' ' ' ALA . 60.7 t -74.54 -59.43 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.267 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -54.32 -36.08 63.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.668 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.457 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 48.5 t80 -55.59 -52.09 64.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.112 0.482 . . . . 0.0 111.05 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -72.76 -29.38 63.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.244 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.617 ' O ' HG23 ' B' ' 76' ' ' VAL . 89.4 mt -72.93 -36.82 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -67.84 -31.27 70.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.936 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 14.5 mmmm -56.05 -34.73 66.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 176.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 73' ' ' LEU . 1.5 m -84.01 -33.33 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.231 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.3 t80 -60.27 -40.75 91.5 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 81.9 mtt180 -60.6 -29.97 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.257 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -73.04 -48.65 43.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.624 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.599 HD22 ' O ' ' B' ' 76' ' ' VAL . 0.7 OUTLIER -62.48 -15.15 48.39 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' B' ' 82' ' ' SER . 19.4 m -76.22 -50.9 13.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' SER . . . . . 0.474 ' HB2' ' O ' ' B' ' 81' ' ' SER . 32.0 t 169.84 148.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.438 0.461 . . . . 0.0 110.289 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.49 HG22 ' OE1' ' B' ' 97' ' ' GLN . 12.4 t -114.65 -32.56 5.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.062 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.468 HG22 HG21 ' B' ' 83' ' ' THR . 10.8 m -146.48 170.51 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.82 24.85 4.67 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.07 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.66 -23.7 60.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.122 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.45 22.34 67.64 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.697 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.2 t -68.44 -33.32 73.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.347 0.594 . . . . 0.0 110.317 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t -106.75 99.68 9.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.958 175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 -51.06 4.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.164 -174.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -91.8 8.75 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.225 0.536 . . . . 0.0 111.773 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' B' ' 95' ' ' ASP . 46.2 mtm -132.31 -86.33 0.47 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.559 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.8 t-20 59.86 -74.96 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.321 0.648 . . . . 0.0 111.758 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 14.9 p -59.19 -29.75 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.871 0.367 . . . . 0.0 110.688 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 21.1 t70 -67.13 -35.26 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.633 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.39 -31.32 67.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.49 ' OE1' HG22 ' B' ' 83' ' ' THR . 12.7 mm100 -62.92 -32.5 73.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.69 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.591 ' O ' HG21 ' B' ' 102' ' ' VAL . 1.7 mptm? -55.86 -44.15 77.8 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.9 -53.93 52.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.159 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' B' ' 103' ' ' ASN . 4.3 mm? -60.44 -37.98 82.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.873 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.21 85.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.729 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.591 HG21 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.26 -32.81 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.547 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 100' ' ' LEU . 16.8 m-80 -55.75 -29.41 59.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.2 m-85 -81.2 -44.44 17.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.452 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.17 -33.07 71.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.756 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.42 -30.14 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.8 p -94.93 -3.63 48.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 89.1 mt -104.81 -17.87 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.367 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -83.02 172.45 12.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.858 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.19 134.96 56.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.13 35.27 24.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.32 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.42 -159.54 18.59 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.3 pt -100.4 -47.0 11.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 111.641 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -127.05 47.09 2.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.6 p90 -78.93 151.34 31.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.57 -169.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.502 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.9 m120 -119.87 130.89 55.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 8.5 pt-20 -62.94 -23.28 67.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.753 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.44 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -72.34 -30.59 64.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.784 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.502 HG12 ' HB2' ' B' ' 116' ' ' ASN . 25.3 mm -71.15 -41.12 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 10.6 tp10 -58.13 -50.86 72.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.868 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 20.3 mm-40 -59.98 -43.23 95.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.438 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.35 -54.51 35.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.399 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.28 -50.09 74.01 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 76.7 mm-40 -64.34 -54.27 35.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.757 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.03 -42.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.699 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 15' ' ' PHE . 45.3 tp -71.47 -53.96 12.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.771 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.416 HD11 ' C ' ' B' ' 127' ' ' LEU . 2.6 pp -65.0 -27.87 69.12 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.376 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.56 -44.77 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.381 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -80.94 -31.45 34.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.008 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 74.2 mt -67.34 -26.55 66.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.447 177.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -90.41 -16.42 29.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.48 -13.66 54.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.295 0.569 . . . . 0.0 111.124 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.21 -17.54 7.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-O 121.867 0.841 . . . . 0.0 109.505 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 70.5 mmtt -88.84 87.44 7.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.501 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.466 ' HG2' ' OXT' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.136 -0.935 . . . . 0.0 109.407 175.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.36 100.19 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.371 2.047 . . . . 0.0 111.666 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -62.51 112.21 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptm -77.21 134.67 38.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.811 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.43 136.04 40.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.98 -176.04 2.86 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.719 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.562 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 28.5 m-80 -119.19 10.93 12.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.615 ' O ' HD11 ' A' ' 12' ' ' LEU . 6.0 pt-20 -56.23 -53.66 54.55 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.723 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.798 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 20.9 m-80 -61.04 -35.95 78.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -60.0 -51.27 70.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.698 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 32.8 mt-30 -58.8 -43.97 90.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 176.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 8' ' ' GLU . 7.3 mp -55.06 -44.33 74.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.249 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 79.9 mt -59.48 -53.73 54.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.576 -177.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -66.14 -28.89 69.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.6 t80 -64.9 -54.58 28.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.863 175.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.35 -36.33 63.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.246 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.5 ttt180 -62.88 -46.31 88.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.668 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -64.77 -35.15 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.285 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 86.1 mt -53.25 -51.07 63.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.982 0.42 . . . . 0.0 110.604 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.72 -25.74 74.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.197 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.25 -30.25 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.892 0.346 . . . . 0.0 111.698 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 24' ' ' LEU . 3.2 m -102.08 -22.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.807 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.6 38.2 1.34 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.814 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD11 HG22 ' A' ' 22' ' ' VAL . 5.1 mp -106.05 -30.99 8.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.052 -0.574 . . . . 0.0 109.976 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 20.5 tp -94.3 -1.4 53.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.6 136.31 57.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.157 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 43.9 p90 -142.88 176.54 8.99 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.406 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -161.41 108.63 1.44 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -82.83 134.83 35.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.793 -171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -91.69 173.07 8.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.58 -40.46 68.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.668 0.271 . . . . 0.0 111.473 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.337 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.4 mm-40 -66.26 -28.72 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.466 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -80.29 -28.01 38.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.23 -32.01 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.28 -24.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 0.0 111.447 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.9 mt -93.85 -53.63 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.406 -176.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -87.34 -24.62 24.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.246 0.546 . . . . 0.0 110.496 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.13 -68.29 3.5 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.582 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 178.259 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -99.89 -159.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.04 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.53 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 1.8 mptt -80.33 177.59 8.86 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.415 HG22 ' NE2' ' B' ' 55' ' ' GLN . 2.4 p -108.0 162.2 14.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.83 0.348 . . . . 0.0 111.432 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 19' ' ' LEU . 44.7 mt -79.35 173.38 12.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.743 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -96.24 -32.66 12.32 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.129 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -91.66 125.47 36.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.712 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -61.14 -40.32 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.423 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.58 74.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.02 0.438 . . . . 0.0 110.762 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.407 ' C ' HD11 ' B' ' 45' ' ' LEU . 3.1 m-85 -80.34 -44.68 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.656 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 38.5 t70 -58.71 -38.67 78.82 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.404 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.97 -53.11 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.824 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.43 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.3 mt -65.67 -42.03 91.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.408 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 75.3 t80 -58.56 -33.56 70.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.396 . . . . 0.0 110.95 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 60.6 mm-40 -88.93 -32.61 17.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.22 -18.16 40.22 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.5 m -114.19 93.83 4.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.521 0.677 . . . . 0.0 110.431 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.9 58.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.039 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -77.29 -20.08 55.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 109.741 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.32 -35.75 40.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -66.41 -40.87 89.85 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.63 -23.45 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.924 0.393 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 69' ' ' VAL . 78.9 mt -71.11 -30.97 67.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.695 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.6 9.35 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -89.22 -18.45 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.007 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.554 ' O ' HG22 ' B' ' 69' ' ' VAL . 67.6 m-85 -89.57 118.85 29.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 109.907 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.93 -35.5 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.745 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.7 m -60.41 -41.64 94.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.758 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.554 HG22 ' O ' ' B' ' 66' ' ' TYR . 2.9 m -82.42 -38.89 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.146 -174.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.483 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 ttpt -70.07 -30.14 67.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.091 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -58.38 -48.09 81.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 173.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -70.11 -34.66 73.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.178 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.64 ' O ' HG21 ' B' ' 76' ' ' VAL . 94.0 mt -69.14 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' HE1' ' A' ' 27' ' ' TYR . . . -68.72 -28.83 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.763 0.316 . . . . 0.0 110.952 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -64.73 -33.75 76.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.64 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.4 m -79.27 -32.52 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.9 t80 -60.45 -36.19 77.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.063 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -58.86 -41.86 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.391 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.83 -49.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.128 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.2 mm? -65.73 -12.5 54.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.5 m -90.13 -48.77 6.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 30.7 p -176.09 139.85 0.39 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.291 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.55 ' HB ' HE22 ' B' ' 97' ' ' GLN . 7.2 t -104.43 -24.63 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 25.5 m -131.67 157.8 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.118 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.47 55.72 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.37 0.605 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -149.35 -89.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.92 41.45 99.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.23 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -60.88 119.66 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.048 0.452 . . . . 0.0 111.406 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.7 m -60.18 143.66 51.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.817 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.22 -14.63 15.92 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -133.55 99.28 4.45 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 90.1 mmm -45.32 114.97 0.83 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.613 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -102.04 -43.07 5.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.752 -175.338 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -56.39 -41.0 75.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.571 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.474 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -74.9 -29.28 60.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 0.0 OUTLIER -64.35 -28.52 69.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.61 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.3 mptm? -57.89 -31.97 67.26 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -58.83 3.1 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.82 -36.27 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.131 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.62 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.051 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 98' ' ' LYS . 93.6 t -61.68 -33.1 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -62.32 -23.75 66.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.431 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.0 m-85 -82.23 -40.62 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 110.386 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -62.84 -31.07 72.01 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.263 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.24 -40.1 92.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.68 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.4 p -78.29 -9.87 59.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 82.5 mt -102.86 -14.99 16.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.459 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 30.5 mtp180 -88.55 172.82 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.258 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -55.33 133.14 49.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.179 0.514 . . . . 0.0 111.604 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.38 10.74 67.7 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.438 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.52 -174.28 45.94 Favored Glycine 0 N--CA 1.435 -1.406 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.498 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 26.3 pt -88.18 -46.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -126.43 46.83 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.1 p90 -77.14 150.21 35.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.273 -171.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -123.85 132.5 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.693 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.68 -29.47 70.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 -171.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.482 ' HB2' HG13 ' B' ' 69' ' ' VAL . . . -71.87 -34.04 68.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.273 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' B' ' 108' ' ' LEU . 46.1 mm -68.6 -39.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.049 0.452 . . . . 0.0 109.792 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.39 -52.77 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.4 -38.93 93.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.648 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -53.71 -53.05 57.55 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.762 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 44.4 t -56.7 -47.61 79.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.726 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 86.5 mm-40 -65.65 -52.9 48.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.895 -174.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.92 -42.49 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.08 0.467 . . . . 0.0 110.887 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 15' ' ' PHE . 43.0 tp -69.49 -54.39 14.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.677 -175.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.77 -27.73 69.5 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.964 0.412 . . . . 0.0 109.957 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.9 t70 -56.54 -42.43 78.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.473 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.43 ' CB ' HG12 ' B' ' 53' ' ' ILE . 62.0 mmtt -90.66 -31.21 16.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.571 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' B' ' 126' ' ' LEU . 57.6 mt -64.52 -29.92 70.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.251 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -90.76 -12.83 35.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.801 0.334 . . . . 0.0 110.732 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.13 -5.42 55.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.45 -21.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.736 0.779 . . . . 0.0 109.309 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.27 91.77 5.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.64 -179.249 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 104.21 0.7 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.714 2.276 . . . . 0.0 111.942 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 112.11 11.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -62.73 121.0 12.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.022 0.439 . . . . 0.0 110.604 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.07 128.3 35.41 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.394 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.58 169.81 8.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.046 0.451 . . . . 0.0 110.32 -175.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -100.55 10.44 41.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.552 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -59.2 -49.08 79.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.728 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.2 p30 -58.06 -36.51 72.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.173 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.6 m -60.66 -33.78 73.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.253 0.549 . . . . 0.0 110.514 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -78.92 -40.3 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.045 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 8' ' ' GLU . 8.0 mp -52.7 -51.54 59.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.302 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 46.4 mt -55.89 -53.48 56.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.373 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.93 -27.15 62.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.681 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.81 -58.65 5.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.885 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.72 -37.14 38.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.211 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.6 ttt180 -58.91 -42.42 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.261 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -68.47 -36.94 79.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.461 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.03 -51.36 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.49 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.22 73.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.01 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.26 -40.72 81.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.764 0.282 . . . . 0.0 111.285 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 HG13 ' HD3' ' B' ' 46' ' ' LYS . 8.8 m -95.95 -16.52 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.002 0.429 . . . . 0.0 111.187 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.55 37.22 4.06 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.968 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD23 ' H ' ' B' ' 43' ' ' LYS . 86.9 mt -97.83 -13.03 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.492 . . . . 0.0 110.207 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' B' ' 73' ' ' LEU . 50.1 tp -102.41 -9.46 20.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.18 136.19 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.908 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -140.93 176.52 8.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.95 127.08 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.222 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.19 146.43 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.087 0.47 . . . . 0.0 111.649 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -87.59 169.69 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.548 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -52.76 -45.38 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.659 0.266 . . . . 0.0 111.332 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.48 -44.14 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.473 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 mt-10 -64.12 -33.74 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.579 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.1 -31.48 61.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 110.236 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.56 -29.76 63.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.358 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.11 -26.82 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.7 mt -93.87 -49.43 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -175.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -76.31 -29.22 57.25 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.87 38.87 2.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.266 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.918 -178.675 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptm . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -133.7 -169.54 2.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.476 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -106.05 170.33 7.97 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -107.28 168.71 9.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.79 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 38.6 mt -76.87 -177.64 4.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.061 0.457 . . . . 0.0 111.755 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.437 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.5 mmmm -86.33 -45.38 11.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 51.0 m -97.21 131.76 43.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.993 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -68.9 -32.85 72.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.845 0.355 . . . . 0.0 110.45 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.01 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.24 -44.45 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.71 -35.18 65.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.8 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.12 -51.01 57.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.804 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.486 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -66.8 -40.88 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CE2' HD12 ' A' ' 24' ' ' LEU . 79.9 t80 -61.81 -29.46 70.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.3 mm-40 -91.97 -29.8 16.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -96.17 -9.89 29.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.3 m -118.73 85.87 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.225 0.535 . . . . 0.0 110.379 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.772 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' B' ' 59' ' ' GLU . 6.1 pt-20 -69.26 -25.04 64.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.892 176.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -84.31 -35.79 23.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.234 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.16 -35.61 69.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.792 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.61 -27.35 68.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.413 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.13 -31.01 65.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.994 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.85 -11.62 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.137 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.96 -33.85 75.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.074 0.464 . . . . 0.0 110.095 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -70.41 129.67 39.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.991 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -76.1 -19.34 58.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.213 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 94.3 m -70.11 -34.51 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.769 0.795 . . . . 0.0 109.317 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' B' ' 73' ' ' LEU . 76.3 t -69.61 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.679 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -51.16 -39.57 56.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.379 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.501 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 57.8 t80 -56.67 -52.52 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 111.32 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -66.54 -37.76 85.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.608 ' O ' HG22 ' B' ' 76' ' ' VAL . 73.7 mt -69.68 -37.79 76.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.819 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.79 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.783 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 53.6 mtpt -65.27 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.608 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -76.76 -30.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.274 -0.571 . . . . 0.0 109.657 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 25.2 t80 -60.86 -38.03 84.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.365 175.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 53.4 mtm180 -62.86 -23.97 67.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.265 0.555 . . . . 0.0 110.58 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -78.48 -44.01 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.888 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.92 -19.32 62.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.048 0.452 . . . . 0.0 110.297 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' B' ' 82' ' ' SER . 22.2 t -89.25 17.46 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' B' ' 81' ' ' SER . 57.6 m 72.0 119.29 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.927 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -59.65 -26.84 65.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.004 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.3 m -122.29 172.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.972 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -110.93 29.19 7.99 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.274 0.559 . . . . 0.0 110.158 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -108.68 -64.64 1.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.616 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.63 58.15 10.88 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.641 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -85.39 -2.28 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.3 m -56.87 126.29 26.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.302 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.66 -32.4 46.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.395 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -98.78 51.33 0.98 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.082 0.468 . . . . 0.0 109.94 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 27.4 ttm 66.36 148.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.424 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.7 t-20 -96.49 -47.75 5.83 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.28 -176.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 29.0 p -64.72 -26.68 68.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.797 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.4 -38.89 91.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.506 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -31.78 44.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.5 mm100 -62.78 -23.67 67.34 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.508 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.7 mptt -53.0 -45.91 68.11 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.43 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.64 -50.62 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.14 -34.85 79.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.402 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -64.96 -49.06 71.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 98' ' ' LYS . 60.4 t -62.24 -35.36 68.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.662 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -54.68 -33.52 60.96 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.472 ' O ' HD22 ' B' ' 108' ' ' LEU . 5.7 m-85 -72.99 -50.88 20.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.62 -24.29 67.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.895 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -71.79 -17.71 62.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.406 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.8 p -96.64 -11.58 25.04 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.483 ' HB3' HG22 ' B' ' 119' ' ' ILE . 4.6 mm? -95.07 -5.65 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.51 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -73.87 150.78 40.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.507 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.11 125.13 19.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.11 33.87 11.49 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.487 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.84 -151.66 16.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.833 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 pt -107.91 -46.46 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -126.61 46.32 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.934 0.397 . . . . 0.0 110.258 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 5.7 p90 -83.98 142.87 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.493 -176.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -105.49 149.22 26.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.866 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.65 -34.47 77.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.724 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.422 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -77.36 -25.79 51.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' B' ' 108' ' ' LEU . 29.9 mm -77.82 -36.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.05 -50.29 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -66.18 -42.41 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -51.1 -58.37 6.29 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.759 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.4 m -54.86 -46.4 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.794 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.595 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 81.6 mm-40 -65.27 -52.52 53.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.675 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' B' ' 59' ' ' GLU . 94.2 mt -62.68 -42.13 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 111.128 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.95 -60.4 2.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.19 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.06 -29.22 67.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.151 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 24.0 t70 -57.78 -50.03 74.62 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.486 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.6 mmtp -79.47 -25.95 41.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.773 -175.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.651 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 85.5 mt -70.36 -39.85 74.41 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.536 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -79.97 -3.13 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 0.0 110.11 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.78 -7.47 49.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.552 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.68 -26.41 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 14.3 mmmm -59.9 114.29 2.73 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.539 178.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.336 -179.121 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' H1 ' ' CD ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.478 1.453 0 N-CA-C 111.629 -0.589 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.69 74.99 4.15 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.988 2.459 . . . . 0.0 112.181 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 62.78 177.23 0.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.342 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.8 mtm 63.09 -159.27 0.32 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.466 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -58.95 145.69 40.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 0.0 110.308 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.65 108.73 19.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.126 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 7' ' ' ASN . 0.9 OUTLIER -92.32 1.82 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.658 -170.107 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 pm0 -59.81 -36.31 76.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 167.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.732 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 45.7 m-80 -60.8 -46.56 90.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.07 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -51.97 -41.49 62.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.902 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' B' ' 130' ' ' LEU . 14.2 mm100 -74.76 -38.75 62.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 97.7 mt -59.38 -46.86 87.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.905 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 60.5 mt -55.56 -57.08 13.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.725 -175.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.4 m-20 -67.37 -29.32 68.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CD1' HD21 ' B' ' 126' ' ' LEU . 41.6 t80 -65.02 -58.41 6.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -55.84 -37.11 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.548 0.69 . . . . 0.0 110.205 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 61.6 ttt180 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.006 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 62.3 mt-10 -66.95 -35.24 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.207 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 10.9 mp -57.69 -50.05 74.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.09 78.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.665 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.51 -29.63 68.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.627 0.251 . . . . 0.0 111.666 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 18' ' ' GLU . 27.9 m -104.35 -1.28 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 111.033 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 35.96 15.28 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.503 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' HG2' ' B' ' 43' ' ' LYS . 81.8 mt -107.08 -5.02 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 111.126 175.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 tp -105.8 -13.9 15.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.82 138.55 54.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.529 0.68 . . . . 0.0 111.049 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -134.84 177.62 7.65 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.39 -170.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -142.22 114.56 8.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -98.48 134.34 41.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.046 0.451 . . . . 0.0 111.867 -174.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -86.97 172.88 9.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.416 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -56.01 -43.87 78.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 0.0 111.198 -177.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.68 -43.63 92.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.426 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 40.2 mt-10 -66.63 -28.37 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.454 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.93 -33.85 59.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.26 -33.23 72.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.33 -23.42 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.531 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.5 mt -94.4 -53.0 4.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.401 . . . . 0.0 111.339 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -79.09 -23.2 44.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.024 0.44 . . . . 0.0 110.286 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.15 7.18 79.25 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.243 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.298 179.203 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 121.195 0.522 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -135.72 142.44 45.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.675 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.468 ' HG2' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -80.52 155.95 26.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.311 0.577 . . . . 0.0 110.787 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -120.22 177.82 4.87 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.312 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 mt -74.23 -178.05 3.25 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 111.144 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -95.06 -41.79 8.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.724 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -92.05 124.43 36.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.413 173.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 46.9 tptt -66.31 -33.87 76.71 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.915 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.611 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.35 -44.46 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -54.02 -36.28 62.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.069 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.95 -52.83 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.288 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.8 mp -64.81 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.755 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -60.6 -32.76 71.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.7 mm-40 -87.98 -17.36 31.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.738 0.304 . . . . 0.0 110.898 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -112.53 32.93 5.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -146.94 81.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.189 0.518 . . . . 0.0 110.831 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.571 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 8.2 pt-20 -72.34 -19.49 61.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.441 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -84.28 -46.64 11.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.994 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.18 -27.73 67.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.174 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.571 ' OE2' ' HA ' ' B' ' 59' ' ' GLU . 12.3 pt-20 -74.82 -26.91 60.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.88 -29.23 58.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.374 0.606 . . . . 0.0 109.411 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 75.2 mt -79.85 15.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -99.47 -17.87 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.227 0.536 . . . . 0.0 109.814 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -89.48 123.58 33.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.843 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -69.08 -19.33 64.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.3 m -68.04 -46.31 71.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.855 0.836 . . . . 0.0 108.948 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.414 HG23 ' HB1' ' B' ' 118' ' ' ALA . 58.1 t -62.65 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.439 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 51.8 mtpt -56.11 -33.68 65.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.526 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 63.7 t80 -63.52 -52.85 59.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.816 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -67.57 -30.36 69.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.773 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.584 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.1 mt -73.85 -38.64 64.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.33 -30.34 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.978 0.418 . . . . 0.0 110.175 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 30.1 mmmt -57.91 -41.45 82.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.073 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.3 m -77.28 -32.56 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.216 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 14.1 t80 -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.504 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 88.3 mtt180 -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.561 . . . . 0.0 110.529 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 75' ' ' LYS . 64.4 mt -70.91 -46.32 68.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.96 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -68.78 -22.82 64.26 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.128 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' B' ' 82' ' ' SER . 35.4 p -91.39 26.77 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' B' ' 81' ' ' SER . 60.4 m 72.12 117.55 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.43 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -79.51 -19.9 48.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.467 0.651 . . . . 0.0 109.845 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.51 169.12 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.439 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.63 24.57 12.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.961 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.06 -56.27 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.024 -176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.97 55.62 10.48 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.961 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' B' ' 93' ' ' ASN . 16.4 m -57.69 121.21 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.5 p -95.89 143.3 27.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.227 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 -56.91 5.04 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.729 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -90.54 16.13 9.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.76 0.314 . . . . 0.0 110.279 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 33.96 113.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 173.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -72.86 -36.42 67.41 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.878 -1.51 . . . . 0.0 108.858 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -31.27 72.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.65 -36.33 75.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.062 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.0 OUTLIER -77.93 -31.29 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.34 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.4 mm100 -59.81 -33.58 71.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.55 ' O ' HG22 ' B' ' 102' ' ' VAL . 56.1 mttt -61.13 -31.16 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.88 -52.57 55.85 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.255 0.55 . . . . 0.0 109.582 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.02 -32.24 72.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.347 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.61 -51.3 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.55 HG22 ' O ' ' B' ' 98' ' ' LYS . 66.0 t -60.39 -36.53 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.723 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -52.56 -40.4 62.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.96 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.557 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.3 m-85 -68.3 -47.06 68.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.4 -31.95 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.692 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.42 -44.88 95.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.057 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -76.97 -10.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.0 mt -101.37 -2.83 29.99 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -105.54 -177.79 3.47 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.636 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -48.14 132.14 15.86 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.226 0.536 . . . . 0.0 111.963 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.78 33.99 57.0 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.526 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.24 -149.01 24.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.877 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.24 -46.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.857 0.36 . . . . 0.0 110.605 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.92 38.41 3.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.538 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 1.4 p90 -80.18 146.48 31.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.874 -172.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -123.58 147.16 47.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.7 -27.95 69.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' B' ' 69' ' ' VAL . . . -72.86 -35.35 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.638 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -70.94 -39.07 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 42.1 tt0 -58.94 -49.9 76.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.27 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.1 -43.05 99.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.703 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.42 -57.54 8.71 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.475 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 26.4 p -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.053 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 81.8 mm-40 -67.13 -51.68 50.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.543 0.211 . . . . 0.0 111.32 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.429 HG21 ' HG3' ' B' ' 59' ' ' GLU . 75.0 mt -58.94 -44.68 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.389 0.614 . . . . 0.0 110.469 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 15' ' ' PHE . 32.8 tp -70.09 -50.75 37.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.782 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.3 pp -65.81 -27.11 68.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.337 -175.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.82 -45.9 78.21 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.243 0.544 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.9 mmtt -85.29 -29.82 24.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.556 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 11' ' ' GLN . 79.3 mt -70.99 -24.97 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.25 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.31 -4.0 39.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.765 0.317 . . . . 0.0 110.626 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.11 -7.95 58.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.314 0.578 . . . . 0.0 110.83 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.6 p -96.92 -20.44 5.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.882 0.849 . . . . 0.0 109.155 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -77.52 112.02 13.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.085 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 12.5 mptt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.991 -179.457 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.866 -0.493 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.56 107.23 1.2 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.507 2.138 . . . . 0.0 112.278 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -71.63 124.41 24.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.477 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mtp -110.09 160.55 16.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -115.87 150.79 36.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.865 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.28 153.5 9.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -75.51 -3.65 35.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.002 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.5 pt-20 -60.71 -36.58 79.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 168.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.792 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 44.3 m-80 -72.56 -32.99 66.49 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.036 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -58.83 -40.58 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.22 -43.04 99.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.101 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 59.7 mt -58.86 -51.03 71.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.809 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.0 mt -56.31 -54.34 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.331 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 6.0 m-20 -70.88 -24.41 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.276 -176.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' CE1' HD22 ' B' ' 126' ' ' LEU . 61.2 t80 -67.58 -52.1 42.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.183 0.516 . . . . 0.0 109.729 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.5 -35.65 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.246 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 44.5 ttt180 -63.68 -46.97 83.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.238 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 45.8 mt-10 -70.73 -31.91 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.173 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.55 -54.54 39.84 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.779 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -70.73 -24.13 77.22 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.78 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.65 -35.03 76.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.726 0.298 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 18' ' ' GLU . 11.8 m -94.51 -12.45 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 110.485 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 96.23 21.9 21.27 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.237 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' B' ' 54' ' ' TYR . 87.6 mt -82.91 -11.61 58.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.741 0.781 . . . . 0.0 109.861 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' B' ' 73' ' ' LEU . 45.1 tp -104.92 -18.14 14.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.9 pt-20 -67.26 136.27 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 110.137 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 71' ' ' PHE . 33.8 p90 -139.04 177.23 8.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.736 -172.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -142.86 106.57 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.13 140.77 29.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.72 -172.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -87.33 167.64 13.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.479 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -50.61 -44.94 57.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.573 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.23 -40.44 86.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 41.8 mt-10 -66.99 -27.7 67.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -27.55 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.239 0.542 . . . . 0.0 109.937 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 31.0 t70 -70.5 -36.05 73.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.287 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 m -80.94 -24.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.908 0.385 . . . . 0.0 111.511 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mt -94.45 -53.75 3.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 0.0 111.429 -176.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.69 -29.66 36.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.295 0.569 . . . . 0.0 110.488 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 61.36 26.31 66.07 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.847 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.554 -179.597 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.8 m120 64.2 -158.38 0.3 Allowed 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.703 0.627 . . . . 0.0 110.791 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.547 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -81.9 174.18 11.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.318 -178.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.06 171.05 7.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.77 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 41.7 mt -83.83 174.35 10.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 110.648 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -92.36 -48.74 6.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.171 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 62.7 m -77.66 123.49 26.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.557 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.82 -39.14 90.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.076 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.91 -15.38 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.336 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.79 -40.43 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.298 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -58.9 -38.45 78.91 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.707 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -50.35 -51.73 43.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.08 -40.41 85.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.076 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.427 ' CE2' HD13 ' A' ' 24' ' ' LEU . 73.6 t80 -60.2 -30.53 69.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.5 mm-40 -90.66 -20.76 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.385 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -104.44 -5.72 21.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -111.39 83.03 1.7 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.572 0.701 . . . . 0.0 110.313 178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.28 -22.22 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.663 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.639 ' HA ' ' OE1' ' B' ' 62' ' ' GLU . 2.0 pm0 -74.92 -19.81 59.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.449 0.642 . . . . 0.0 109.473 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.19 -48.68 9.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.189 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -61.46 -24.57 66.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.639 ' OE1' ' HA ' ' B' ' 59' ' ' GLU . 10.6 pt-20 -72.24 -20.11 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.977 0.418 . . . . 0.0 109.878 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.98 -34.61 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.6 7.56 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.638 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -89.19 -12.07 41.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.212 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.606 ' O ' HG23 ' B' ' 69' ' ' VAL . 91.4 m-85 -95.13 116.8 29.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -62.42 -27.14 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -36.85 83.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.147 0.499 . . . . 0.0 110.849 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 66' ' ' TYR . 1.8 m -81.87 -39.67 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 26.1 mtpp -62.68 -36.09 81.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.935 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.488 ' CG ' HD13 ' A' ' 37' ' ' LEU . 58.6 t80 -57.11 -51.79 67.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.892 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -70.27 -29.56 66.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.224 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.559 ' O ' HG23 ' B' ' 76' ' ' VAL . 92.9 mt -72.77 -37.59 67.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.395 176.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.02 -31.18 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.6 mmmt -58.9 -41.78 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.757 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 73' ' ' LEU . 3.1 m -79.6 -32.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.281 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.3 t80 -56.56 -40.78 75.76 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.404 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 45.4 mtp180 -63.11 -35.73 81.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.404 HG22 ' HB ' ' B' ' 83' ' ' THR . 71.9 mt -64.6 -49.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.126 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.87 -20.72 62.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.647 0.26 . . . . 0.0 111.544 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -92.39 -50.12 5.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 10.3 p -175.44 97.57 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.134 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.475 ' CG2' HE22 ' B' ' 97' ' ' GLN . 4.3 t -71.17 -22.47 62.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -177.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.414 HG13 HG21 ' B' ' 83' ' ' THR . 8.5 m -137.44 177.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -91.59 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.137 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.18 -72.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.339 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.46 77.49 0.97 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.605 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -63.54 115.89 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 13.0 t -111.08 175.98 5.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.896 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.29 -52.15 4.68 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -97.14 38.34 1.25 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.672 0.272 . . . . 0.0 110.364 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.68 126.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.934 0.873 . . . . 0.0 112.447 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -103.12 -59.03 1.77 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.502 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -57.31 -40.38 77.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.19 -31.53 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.408 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -32.84 63.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.654 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -71.88 -30.94 65.93 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.103 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.592 ' O ' HG22 ' B' ' 102' ' ' VAL . 1.9 mptm? -56.11 -41.92 76.03 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.261 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.18 -57.0 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.89 -31.12 70.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.334 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.413 ' HB2' HD22 ' A' ' 13' ' ' LEU . . . -67.38 -46.24 73.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.606 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.592 HG22 ' O ' ' B' ' 98' ' ' LYS . 87.3 t -60.48 -30.68 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 110.624 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.38 -30.78 71.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.257 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.7 m-85 -80.33 -41.79 24.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.586 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.43 -30.12 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -68.54 -26.91 65.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.488 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -89.5 -6.26 56.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.397 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.514 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 82.3 mt -103.8 -3.05 25.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.694 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -96.27 159.34 15.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.494 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 63.7 t80 -48.56 130.37 17.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 111.645 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.14 58.08 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.995 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.8 -151.1 15.95 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.249 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.47 -40.67 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.687 0.279 . . . . 0.0 111.421 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -133.52 42.65 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.514 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 2.5 p90 -74.58 151.39 39.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.545 -172.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.435 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.8 m120 -112.88 136.95 51.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.153 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.2 OUTLIER -60.9 -29.54 69.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.737 178.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.478 ' HB1' ' CG1' ' B' ' 69' ' ' VAL . . . -77.54 -44.13 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.701 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' B' ' 116' ' ' ASN . 42.6 mm -60.43 -36.53 70.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 110.559 176.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 43.5 tt0 -58.58 -40.18 82.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.759 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.452 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -49.96 -60.64 2.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.4 p -56.11 -44.16 78.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.625 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.554 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 75.7 mm-40 -64.99 -53.01 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.781 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.0 -41.37 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.204 0.526 . . . . 0.0 111.116 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.462 HD22 ' CE1' ' A' ' 15' ' ' PHE . 1.3 tm? -69.74 -59.14 3.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.279 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.4 pp -59.41 -30.13 68.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.315 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 19.7 t70 -55.63 -54.0 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.27 -35.23 71.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.79 -15.76 62.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.769 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -102.93 -15.5 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.115 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.37 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.376 0.607 . . . . 0.0 110.736 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.9 p -96.62 -15.08 7.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.089 0.947 . . . . 0.0 109.199 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -91.06 101.39 14.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.609 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.933 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.91 137.82 35.89 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.036 2.491 . . . . 0.0 111.483 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -71.56 110.61 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.933 0.397 . . . . 0.0 110.679 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.6 mtp -84.77 135.51 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.733 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -136.08 157.11 47.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.905 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.99 -155.84 0.63 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -93.62 6.97 46.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.913 0.387 . . . . 0.0 110.61 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.636 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -60.34 -47.55 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.039 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.74 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -58.13 -32.78 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.143 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.86 -42.02 99.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.085 0.469 . . . . 0.0 110.017 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 11' ' ' GLN . 12.3 mt-30 -75.11 -36.01 61.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.484 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 8' ' ' GLU . 4.4 mp -54.54 -45.14 73.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.869 176.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.7 mt -61.1 -48.9 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.415 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.25 -30.97 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.395 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.4 t80 -64.03 -53.89 42.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.893 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 12' ' ' LEU . 85.1 mt -56.77 -40.8 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.843 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -61.93 -41.97 98.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.294 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.38 -33.65 75.64 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.0 mt -56.72 -52.04 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 110.618 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.89 -15.98 72.07 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.536 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -80.01 -30.37 39.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.557 0.218 . . . . 0.0 111.032 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 24' ' ' LEU . 4.1 m -102.09 -21.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.645 0.26 . . . . 0.0 111.486 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.63 20.57 4.58 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.87 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD13 HG21 ' A' ' 22' ' ' VAL . 4.4 mp -91.46 -27.35 18.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.865 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' B' ' 73' ' ' LEU . 47.8 tp -93.21 -14.55 26.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.368 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.99 139.99 57.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.336 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 45.9 p90 -143.91 175.14 10.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.731 -173.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -145.14 110.35 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -98.49 131.01 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -84.09 175.72 9.3 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.595 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.1 OUTLIER -61.56 -38.3 86.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.103 -178.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -61.7 -41.5 97.68 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.887 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.1 mt-10 -74.25 -32.54 63.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.496 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.96 -27.16 60.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.299 0.571 . . . . 0.0 109.919 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.7 -38.06 80.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.035 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 m -84.31 -23.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.457 -177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 68.3 mt -94.23 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.677 0.275 . . . . 0.0 111.604 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -79.85 -22.94 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.557 . . . . 0.0 109.848 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.29 4.59 83.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.136 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.46 179.662 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.43 ' HB2' ' OE1' ' B' ' 61' ' ' GLN . 20.8 mmt . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 m120 57.49 -155.99 0.32 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.525 0.515 . . . . 0.0 110.651 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.597 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -77.13 179.81 6.07 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -112.24 161.04 17.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.483 HD23 HD23 ' A' ' 19' ' ' LEU . 44.5 mt -78.38 175.25 10.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.692 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -97.48 -37.87 9.81 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.517 -173.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.5 m -85.05 122.5 29.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -63.62 -34.9 78.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.334 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.37 79.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -79.11 -45.3 20.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.067 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.8 t70 -57.06 -34.88 68.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.57 -53.98 26.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.109 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.9 mp -65.94 -40.25 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.91 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.474 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 74.5 t80 -60.23 -39.61 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.081 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' B' ' 54' ' ' TYR . 56.4 mm-40 -83.84 -19.43 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 110.563 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.6 24.35 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.118 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -146.74 97.82 2.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.051 0.453 . . . . 0.0 110.741 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.99 61.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 35.8 mm-40 -70.53 -38.95 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.159 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.88 -33.47 62.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.479 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 18.6 tp60 -65.99 -43.23 88.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.357 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.7 pt-20 -62.72 -34.91 78.15 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.287 -173.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.09 -36.33 83.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.98 10.6 9.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 32.0 mmmt -100.07 -3.86 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -105.69 136.33 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.051 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -74.08 -20.91 60.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.515 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 88.1 m -71.01 -43.8 67.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.856 0.836 . . . . 0.0 109.758 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.51 -55.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.022 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 55.7 mtmt -56.3 -37.92 70.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.956 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -57.55 -52.42 65.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.0 111.118 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -70.62 -27.33 63.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.363 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.6 ' O ' HG21 ' B' ' 76' ' ' VAL . 92.9 mt -77.6 -34.04 53.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.819 0.342 . . . . 0.0 110.744 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.49 -26.82 68.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.791 177.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.64 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.6 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -84.38 -31.5 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.183 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.3 t80 -58.81 -40.49 84.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.954 0.407 . . . . 0.0 110.405 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 76.1 mtt180 -62.3 -28.82 70.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.665 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.09 -56.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.902 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.489 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -57.62 -30.61 65.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 26.8 t -75.7 -39.56 57.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.433 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' SER . . . . . 0.636 ' HB3' ' O ' ' B' ' 84' ' ' VAL . 65.6 m -158.46 115.97 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 0.0 111.574 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.561 ' HB ' ' NE2' ' B' ' 97' ' ' GLN . 13.4 t -79.06 -26.53 43.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.737 0.779 . . . . 0.0 109.045 172.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' B' ' 82' ' ' SER . 15.7 m -121.79 158.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.843 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -76.76 56.49 1.17 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.295 0.569 . . . . 0.0 111.474 -175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -143.07 -52.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.361 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.89 -7.35 13.17 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.381 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -55.47 113.0 1.25 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.998 0.427 . . . . 0.0 111.381 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 36.05 0.06 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.26 -34.89 13.13 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.829 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -82.06 73.74 9.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.484 ' C ' ' H ' ' B' ' 94' ' ' SER . 61.2 mmm 51.96 -103.41 0.15 Allowed 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.774 0.672 . . . . 0.0 110.262 -171.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.79 -19.75 0.22 Allowed 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.225 0.536 . . . . 0.0 111.728 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' SER . . . . . 0.484 ' H ' ' C ' ' B' ' 92' ' ' MET . 12.7 p -72.66 -27.63 62.23 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.764 0.426 . . . . 0.0 111.961 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.01 -31.61 71.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 0.0 109.323 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -43.65 63.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.673 173.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.561 ' NE2' ' HB ' ' B' ' 83' ' ' THR . 0.1 OUTLIER -59.75 -35.55 74.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.29 178.518 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.572 ' O ' HG21 ' B' ' 102' ' ' VAL . 12.8 mptt -48.47 -57.11 6.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.262 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -55.36 -55.89 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.14 -38.11 75.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.07 66.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.572 HG21 ' O ' ' B' ' 98' ' ' LYS . 49.1 t -63.53 -31.79 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.808 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.414 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 14.7 m-80 -62.51 -22.59 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.802 178.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.37 -40.21 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.61 -26.81 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.669 0.271 . . . . 0.0 110.477 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 14.2 m120 -61.95 -24.64 67.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.403 ' HB ' HG12 ' B' ' 113' ' ' ILE . 32.4 p -99.01 -2.49 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.55 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.6 mt -116.52 -31.98 5.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.637 HH21 ' NE2' ' B' ' 124' ' ' GLN . 74.1 ttt180 -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.774 -170.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -125.43 119.6 28.71 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.877 -174.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.23 55.82 27.19 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.655 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.76 -168.98 23.45 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.112 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' B' ' 107' ' ' THR . 13.5 pt -103.1 -33.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.249 0.547 . . . . 0.0 110.768 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.67 41.31 3.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -80.7 138.74 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.131 -169.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.528 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.9 m120 -113.2 137.25 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.622 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 15.0 pt-20 -60.68 -25.48 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.404 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.127 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.528 HG12 ' HB2' ' B' ' 116' ' ' ASN . 43.9 mm -72.04 -37.63 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 8.9 tp10 -65.24 -46.88 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.605 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 21.9 mm-40 -56.38 -45.11 80.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.96 -56.58 16.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.456 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.04 -46.47 89.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.138 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.637 ' NE2' HH21 ' B' ' 109' ' ' ARG . 79.0 mm-40 -63.12 -53.91 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.715 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 15' ' ' PHE . 42.3 tp -68.89 -49.05 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.445 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.62 -30.12 70.79 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.198 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -54.37 -46.95 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.693 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HB2' HG12 ' B' ' 53' ' ' ILE . 33.8 mmtp -84.61 -25.24 28.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.901 -177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.419 ' O ' HG11 ' B' ' 133' ' ' VAL . 72.5 mt -72.49 -25.63 61.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.0 110.712 174.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -14.83 54.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 109.857 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.07 2.26 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.96 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.419 HG11 ' O ' ' B' ' 130' ' ' LEU . 7.3 p -99.65 -23.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.557 0.694 . . . . 0.0 109.873 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.429 ' HZ2' ' HB2' ' B' ' 134' ' ' LYS . 8.1 mtmp? -83.04 109.79 17.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.684 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 10.7 mptt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.351 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.52 105.12 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.578 2.185 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.82 146.96 52.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.729 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -98.68 -177.77 3.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.117 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 55.27 -163.62 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 123.618 0.574 . . . . 0.0 111.218 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.35 172.74 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.005 0.431 . . . . 0.0 110.298 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -103.2 12.84 35.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.388 0.613 . . . . 0.0 110.625 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.4 pt-20 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.338 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.726 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 p30 -69.51 -36.06 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.325 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -57.6 -34.17 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.09 0.471 . . . . 0.0 110.304 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -77.56 -40.18 43.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.296 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 95.4 mt -55.91 -46.92 78.29 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.028 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.0 mt -58.92 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.482 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -29.45 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.484 ' CE2' HD12 ' B' ' 126' ' ' LEU . 50.1 t80 -69.47 -53.17 20.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.195 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.67 -39.96 57.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.391 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 77.8 ttt180 -61.16 -44.59 97.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' HG21 ' A' ' 22' ' ' VAL . 56.1 mt-10 -64.82 -35.17 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.285 177.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 HD22 ' B' ' 45' ' ' LEU . 74.5 mt -57.74 -52.99 63.2 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.192 0.52 . . . . 0.0 110.281 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -23.72 77.8 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.828 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.92 -30.22 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.824 0.312 . . . . 0.0 111.384 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 18' ' ' GLU . 29.3 m -98.55 -20.25 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.748 0.309 . . . . 0.0 110.936 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.3 28.11 5.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.441 -0.885 . . . . 0.0 113.395 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -96.27 -27.73 14.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.071 0.462 . . . . 0.0 110.73 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 73' ' ' LEU . 58.3 tp -86.06 -21.98 27.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.336 178.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.69 138.23 47.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.598 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 49.5 p90 -146.63 178.29 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.726 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -145.65 138.53 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -119.15 134.15 55.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m -86.26 172.06 10.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -57.97 -40.53 80.87 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.828 0.347 . . . . 0.0 110.609 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.66 -41.02 98.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 mm-40 -67.95 -32.77 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.13 -27.84 61.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.262 0.553 . . . . 0.0 110.214 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.42 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 23.9 t70 -66.31 -35.65 80.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.299 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.44 -21.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.8 mt -94.84 -54.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.589 -176.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -85.02 -32.38 22.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.726 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 75.46 -68.63 2.1 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.993 -175.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.092 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.636 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.87 0.366 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -122.75 170.58 9.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.499 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 161.54 9.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 111.153 175.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.51 178.76 4.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.672 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.506 HD22 HD22 ' A' ' 19' ' ' LEU . 41.9 mt -75.28 173.31 11.03 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.28 0.562 . . . . 0.0 110.514 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -91.77 -36.57 13.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.27 -174.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 43.7 m -96.79 127.01 42.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.36 -36.66 84.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.215 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.31 71.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.473 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -81.85 -44.2 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.38 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.553 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 28.6 t70 -54.75 -41.07 70.0 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.096 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -51.56 -49.27 62.38 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.35 -41.64 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 110.937 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.55 -25.26 67.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 56.3 mm-40 -95.37 -39.2 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.495 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.13 -27.57 61.76 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.827 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.6 m -110.72 85.02 2.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.262 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -26.0 68.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.556 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 35.7 mt-10 -61.9 -36.33 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.045 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.27 -39.79 65.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.288 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -63.07 -42.21 99.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.609 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.7 pt-20 -68.64 -23.5 64.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -173.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 84.3 mt -70.42 -38.55 74.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.204 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.73 7.95 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.837 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -99.49 5.72 46.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.919 0.39 . . . . 0.0 110.459 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.473 ' O ' HG22 ' B' ' 69' ' ' VAL . 84.4 m-85 -105.02 119.43 38.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.46 -33.42 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.978 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.413 HG23 ' CD2' ' A' ' 37' ' ' LEU . 97.3 m -62.08 -36.11 80.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 66' ' ' TYR . 1.3 m -83.44 -38.99 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 25.8 mtpp -61.28 -40.82 95.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.819 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 42.7 t80 -55.77 -51.99 65.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.143 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -68.26 -35.81 78.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.538 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.618 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.1 mt -73.91 -34.85 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 110.998 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.22 -31.27 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.4 mtpt -63.26 -29.86 71.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.618 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -82.48 -33.33 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -60.78 -34.87 75.14 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.012 0.434 . . . . 0.0 110.129 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 23.4 mtp180 -60.71 -27.48 67.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.955 176.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -78.89 -44.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.669 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.3 mm? -69.32 -21.19 63.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.277 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p -90.65 30.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.935 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m 71.55 107.71 0.06 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.918 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.477 HG22 HE22 ' B' ' 97' ' ' GLN . 3.2 t -84.0 -26.1 29.44 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.403 HG13 HG21 ' B' ' 83' ' ' THR . 15.6 m -142.0 -178.73 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.913 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . 0.417 HD21 ' C ' ' B' ' 85' ' ' ASN . 0.2 OUTLIER -132.21 43.56 3.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.903 178.34 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.99 -84.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.103 -170.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.33 10.96 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.537 -176.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -72.56 -18.83 61.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.0 110.9 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 43.8 t -119.47 125.99 50.24 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.664 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.41 -6.19 82.42 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 70.36 -71.21 0.13 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 123.625 0.77 . . . . 0.0 111.79 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 17.9 mmt -68.53 119.86 13.66 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.227 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.59 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -84.33 -41.98 16.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.373 -176.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.6 p -60.88 -41.4 95.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.938 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.31 -32.13 71.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.494 0.664 . . . . 0.0 110.268 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -37.27 83.04 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.482 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 0.1 OUTLIER -62.07 -35.86 79.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.366 177.764 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.54 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.6 mptm? -58.99 -43.39 91.47 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.785 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.08 -52.33 66.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -36.86 78.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.779 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.03 89.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.398 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 98' ' ' LYS . 92.6 t -60.48 -37.75 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 110.63 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -61.04 -33.64 73.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.531 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.576 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.8 m-85 -72.27 -44.0 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.593 0.235 . . . . 0.0 110.482 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.666 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.59 -33.41 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 75.9 p -81.2 -11.81 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.988 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 41.5 mt -106.06 -6.63 18.55 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.404 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' B' ' 110' ' ' TYR . 30.5 ttp180 -69.26 158.24 35.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.943 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.539 ' N ' ' HG2' ' B' ' 109' ' ' ARG . 83.2 t80 -50.37 128.83 20.64 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.69 33.87 41.12 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.83 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.62 -148.72 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.1 pt -112.76 -49.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.075 0.464 . . . . 0.0 111.164 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -121.73 46.49 2.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -80.63 151.24 29.12 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.956 -171.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.32 142.82 49.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.5 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 1.3 pm0 -65.74 -26.65 67.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.287 -176.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.461 ' HB2' ' CG1' ' B' ' 69' ' ' VAL . . . -78.32 -44.01 26.37 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.289 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' B' ' 108' ' ' LEU . 43.2 mm -57.58 -41.07 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 31.2 tt0 -56.0 -56.33 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.377 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.54 -28.55 67.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.684 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 68.5 t80 -55.06 -58.71 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.519 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.1 p -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.711 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 30.4 mm-40 -70.36 -62.49 1.37 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 61.9 mt -57.86 -35.11 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.276 0.56 . . . . 0.0 110.665 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 15' ' ' PHE . 36.1 tp -72.1 -53.64 12.2 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.418 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.436 HD11 ' C ' ' B' ' 127' ' ' LEU . 1.7 pp -65.47 -29.26 69.9 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.15 -51.01 67.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.109 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -77.77 -30.72 51.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.823 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.12 -29.77 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.992 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -91.57 -13.71 31.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 0.0 110.772 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -88.14 -4.04 58.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.169 0.509 . . . . 0.0 111.633 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.15 -18.89 6.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.894 0.854 . . . . 0.0 109.591 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.485 ' HB3' ' HZ1' ' B' ' 134' ' ' LYS . 1.5 mmmp? -92.0 92.11 8.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.299 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.104 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.44 149.98 27.94 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.428 2.085 . . . . 0.0 111.989 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -82.0 71.51 9.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.777 0.799 . . . . 0.0 110.424 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.0 ptm -104.38 24.01 12.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.977 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.57 177.61 8.36 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.585 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.53 154.03 25.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.224 0.535 . . . . 0.0 110.186 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.28 22.79 2.72 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.636 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.3 pt-20 -63.73 -35.1 79.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.952 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 42.6 m-80 -60.7 -41.87 96.05 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.358 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -55.86 -39.85 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.583 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -73.79 -40.31 63.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 178.209 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 83.4 mt -55.85 -48.96 74.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.292 177.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 39.8 mt -53.59 -51.02 64.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.968 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -76.44 -28.65 56.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' O ' HD12 ' A' ' 19' ' ' LEU . 76.1 t80 -63.64 -54.9 28.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.04 -35.23 63.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.442 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 66.6 ttt180 -62.41 -46.1 90.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.968 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.26 -34.77 78.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.091 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 15' ' ' PHE . 6.7 mp -53.81 -58.6 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 110.722 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.34 -21.05 68.11 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.0 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.12 -33.34 59.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.884 0.342 . . . . 0.0 111.349 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 ' HG ' ' A' ' 24' ' ' LEU . 16.1 m -97.38 -19.53 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.029 0.442 . . . . 0.0 110.86 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.0 29.85 4.17 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.079 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 96.5 mt -95.64 0.53 52.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.119 0.485 . . . . 0.0 110.555 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' B' ' 74' ' ' ALA . 2.2 mt -113.94 -20.74 10.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.081 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.3 135.29 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.636 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.71 174.68 11.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.659 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.02 109.02 2.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.3 mt -83.18 135.92 34.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.463 -172.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -93.12 175.7 6.68 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.22 -41.36 68.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.791 0.329 . . . . 0.0 111.276 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.63 -33.11 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.059 0.457 . . . . 0.0 110.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -79.25 -26.48 42.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.118 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.8 mttt -81.92 -29.36 32.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.365 0.602 . . . . 0.0 109.841 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 12.9 t70 -66.22 -34.18 77.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.394 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -84.72 -24.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 59.7 mt -95.29 -54.8 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.665 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -92.96 -30.34 15.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.305 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 78.29 -61.16 3.88 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.373 -175.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.917 -179.554 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.761 0.315 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -123.59 -159.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.551 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -80.36 168.24 19.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.25 179.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.92 172.74 6.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.65 175.94 8.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.02 0.438 . . . . 0.0 110.969 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -95.13 -44.86 7.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.345 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 37.6 m -82.39 123.05 28.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.838 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.45 -32.52 74.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.229 -176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.49 -33.3 73.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.652 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -86.94 -40.91 14.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.24 0.543 . . . . 0.0 110.512 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -54.46 -38.21 66.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.633 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.89 -49.5 62.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.516 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -65.98 -35.22 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.497 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 35.9 t80 -61.13 -39.24 89.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.612 0.244 . . . . 0.0 110.872 -176.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.334 0.588 . . . . 0.0 110.818 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -78.37 -0.46 29.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.71 -172.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -128.72 83.66 2.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.452 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.76 -18.88 65.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.531 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.476 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -76.91 -22.49 53.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.939 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.86 -35.45 24.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -65.88 -36.54 83.7 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.45 -20.69 60.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 111.087 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.458 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -73.79 -23.8 59.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.538 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 35.3 mt -82.32 16.21 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.205 0.526 . . . . 0.0 110.808 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -101.67 10.01 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.263 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.659 ' O ' HG23 ' B' ' 69' ' ' VAL . 59.6 m-85 -109.96 114.62 28.3 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -62.44 -29.37 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.234 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 66' ' ' TYR . 3.2 m -83.35 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.605 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 58.0 mtpt -60.56 -38.91 86.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.028 0.442 . . . . 0.0 109.812 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.696 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 52.9 t80 -55.97 -52.39 64.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.612 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -71.13 -38.4 72.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 76' ' ' VAL . 85.3 mt -64.64 -48.97 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 111.066 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.61 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.696 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 51.3 mtpt -63.55 -36.77 84.87 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.699 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -75.11 -34.19 30.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 12.2 t80 -57.78 -41.2 81.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 72.3 mtp180 -58.81 -34.97 72.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.757 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.433 HG21 ' HB ' ' B' ' 83' ' ' THR . 73.6 mt -64.0 -40.43 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.713 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.13 -16.64 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.942 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.95 -50.74 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 172.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 61.3 m -166.4 119.25 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.709 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.433 ' HB ' HG21 ' B' ' 79' ' ' ILE . 6.1 t -87.76 -22.48 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 8.5 m -145.87 -179.28 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.02 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -83.21 24.39 0.8 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.738 0.304 . . . . 0.0 111.475 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -160.77 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.826 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.39 78.34 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.415 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 45.5 m -82.38 129.98 35.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -120.93 -168.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.252 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.57 -60.24 3.53 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.94 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -143.86 19.17 1.81 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.084 0.469 . . . . 0.0 110.749 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 40.8 mtm -104.09 -85.17 0.47 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.541 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 3.0 t-20 60.55 -79.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.785 0.678 . . . . 0.0 111.489 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' SER . . . . . 0.412 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 5.2 p -60.91 -32.12 71.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 0.0 110.625 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.47 -32.37 69.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.057 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.2 OUTLIER -74.81 -38.2 62.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.468 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.3 mm100 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.815 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.515 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.0 mptp? -54.54 -48.75 71.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.501 173.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.14 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.721 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.431 HD21 HD13 ' B' ' 96' ' ' LEU . 4.6 mm? -61.32 -36.38 79.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.204 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 98' ' ' LYS . 78.0 t -58.28 -38.14 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.779 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.37 -36.77 71.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.72 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.517 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.8 m-85 -72.4 -43.22 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.849 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.26 -26.97 68.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.553 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.15 -34.77 73.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.214 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 78.3 p -78.48 -16.49 57.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.67 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 59.0 mt -98.58 3.09 47.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.401 HH22 ' NE2' ' B' ' 124' ' ' GLN . 2.0 tpt85 -76.27 160.03 30.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.682 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -64.38 111.67 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.41 40.88 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.032 -175.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.84 -141.1 0.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.302 -0.475 . . . . 0.0 111.948 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 pt -113.52 -43.71 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 122.558 -0.378 . . . . 0.0 111.65 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -131.78 46.03 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.5 p90 -72.91 146.76 45.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.143 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.495 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -111.41 139.64 46.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.0 -31.73 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.573 ' HB2' HG11 ' B' ' 69' ' ' VAL . . . -77.06 -28.61 54.76 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.474 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.495 HG12 ' HB2' ' B' ' 116' ' ' ASN . 33.1 mm -65.84 -41.75 90.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.1 0.476 . . . . 0.0 109.874 174.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 0.5 OUTLIER -59.78 -54.18 49.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.583 177.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.905 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.08 -58.87 6.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.304 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.6 p -61.6 -41.06 96.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 80.2 mm-40 -59.16 -62.31 1.98 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.03 0.206 . . . . 0.0 111.22 -177.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -55.29 -42.01 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.41 0.624 . . . . 0.0 111.322 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -70.98 -59.4 2.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.464 -175.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 8' ' ' GLU . 1.5 pp -58.21 -31.73 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.42 -49.25 72.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.961 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.516 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.8 mmtt -77.99 -28.9 49.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.584 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 11' ' ' GLN . 91.7 mt -70.23 -24.49 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 176.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -95.95 -8.44 33.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.85 0.357 . . . . 0.0 110.996 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.84 -6.48 57.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.192 0.52 . . . . 0.0 111.219 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.39 -17.18 7.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.75 0.786 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -75.63 120.66 21.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.342 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 11.8 mptt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.719 -0.658 . . . . 0.0 109.905 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.64 50.78 3.5 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.924 2.416 . . . . 0.0 112.182 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 62.14 57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.073 -174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.451 ' SD ' ' HB ' ' B' ' 102' ' ' VAL . 85.1 mtp 66.01 -162.01 0.25 Allowed 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.075 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -80.38 129.77 34.73 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.77 160.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.872 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -117.21 11.6 14.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.9 pt-20 -64.79 -45.78 84.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.755 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.727 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 p30 -55.0 -31.11 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.455 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -57.88 -30.52 65.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -84.34 -38.14 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.98 0.419 . . . . 0.0 110.158 176.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 8' ' ' GLU . 10.0 mp -56.45 -49.32 74.95 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.387 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 52.2 mt -53.84 -53.72 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.669 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -37.37 85.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.012 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.5 -55.95 27.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.305 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.24 -35.58 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -64.24 -44.85 90.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' HG21 ' A' ' 22' ' ' VAL . 67.6 mt-10 -64.66 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.398 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.14 -56.83 16.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.71 70.75 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.521 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.66 -37.39 79.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.508 0.194 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 24' ' ' LEU . 6.4 m -104.21 -22.54 4.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.81 37.6 1.04 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.027 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 22' ' ' VAL . 1.6 mp -96.99 -15.01 21.29 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.555 0.693 . . . . 0.0 110.008 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' B' ' 74' ' ' ALA . 9.5 mt -99.83 -15.11 18.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.878 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.38 125.33 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.039 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 25' ' ' LEU . 48.8 p90 -140.73 176.97 8.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.982 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.2 135.02 20.03 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.35 135.83 54.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.9 p -84.6 175.29 9.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.833 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.89 -41.27 82.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.32 -50.24 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.5 mt-10 -64.4 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.8 -32.42 52.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 110.361 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.052 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.87 -22.67 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.413 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 63.3 mt -93.91 -53.23 4.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.01 -177.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -80.08 -24.94 40.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.58 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.13 6.33 67.87 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.534 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.108 178.743 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -110.08 -171.96 1.94 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 170.18 8.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.562 HG21 ' NE2' ' B' ' 55' ' ' GLN . 1.6 p -101.51 166.73 10.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.839 0.352 . . . . 0.0 111.44 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 52.9 mt -80.38 178.77 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.852 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.428 ' HD3' HG11 ' A' ' 22' ' ' VAL . 12.2 mmmm -89.68 -48.7 7.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.31 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -88.19 127.63 35.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.028 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.41 -35.22 80.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.82 -20.41 65.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.785 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.16 -44.23 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.224 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.2 t70 -55.96 -35.75 67.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.859 -178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -50.38 -51.04 49.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.355 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.417 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.2 mp -66.8 -39.79 84.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.887 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -61.67 -33.79 74.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.562 ' NE2' HG21 ' B' ' 44' ' ' THR . 70.0 mm-40 -86.82 -24.19 25.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -104.88 17.02 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.12 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -141.76 99.79 3.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.229 0.538 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.4 -21.88 55.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.28 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.418 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.0 pt-20 -80.04 -24.33 40.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.42 -35.46 25.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -65.55 -39.77 92.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.626 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.61 -22.78 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.649 0.261 . . . . 0.0 111.595 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.94 -30.23 65.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -82.12 4.41 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.13 -17.75 28.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -88.87 122.83 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.777 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.14 -26.48 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.2 m -69.89 -36.43 75.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.825 0.822 . . . . 0.0 109.87 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 87.5 t -75.86 -56.53 8.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.533 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.45 -22.38 66.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.441 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.65 -51.01 71.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.1 0.476 . . . . 0.0 110.638 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -71.29 -28.16 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.135 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 76' ' ' VAL . 94.6 mt -74.63 -46.16 40.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.924 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' LEU . . . -63.91 -23.24 67.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.361 -0.212 . . . . 0.0 111.531 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.512 ' HA ' ' HE3' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.555 0.216 . . . . 0.0 110.796 171.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -75.09 -27.7 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.46 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.44 -40.01 81.39 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.063 0.459 . . . . 0.0 110.486 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.56 -32.83 74.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.177 0.513 . . . . 0.0 110.068 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -43.26 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.853 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.1 mm? -65.49 -10.25 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.017 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.3 m -92.81 -52.16 4.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.244 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 12.6 m -174.25 139.27 0.61 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 122.616 0.367 . . . . 0.0 110.865 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.517 ' HB ' HE22 ' B' ' 97' ' ' GLN . 9.0 t -97.07 -23.34 16.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.254 0.55 . . . . 0.0 109.657 173.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.24 -177.31 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.841 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -127.85 27.9 5.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.032 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.2 -42.69 83.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.772 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.67 -11.84 57.91 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 29.5 m -79.03 116.86 19.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.3 m -152.58 77.7 1.19 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.726 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.0 -75.44 1.13 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.227 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -152.97 16.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.678 0.275 . . . . 0.0 111.482 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.24 -29.55 3.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.628 -177.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.644 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.5 t-20 -59.26 -46.84 87.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.759 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' SER . . . . . 0.499 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 40.3 t -66.48 -31.47 72.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 14.0 t70 -68.21 -39.7 82.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.102 0.477 . . . . 0.0 109.775 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.0 OUTLIER -71.69 -29.84 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 -179.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.644 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 13.1 mm100 -61.91 -37.32 84.19 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.549 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.6 mptp? -55.54 -44.64 76.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 175.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.5 -51.4 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -33.21 73.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.89 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.09 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.221 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 98' ' ' LYS . 40.9 t -61.28 -34.57 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -53.13 -36.26 60.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.402 ' O ' HD21 ' B' ' 108' ' ' LEU . 4.3 m-85 -74.86 -42.11 58.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.389 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.69 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.398 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -101.42 -2.05 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 109.95 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.4 mm? -103.29 -13.68 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.18 152.62 39.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.081 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.41 121.53 3.48 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.72 0.638 . . . . 0.0 110.888 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.98 56.87 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.705 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 -170.07 11.9 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.267 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.421 HG13 ' N ' ' B' ' 114' ' ' HIS . 21.5 pt -84.17 -49.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.421 ' N ' HG13 ' B' ' 113' ' ' ILE . 26.3 m80 -127.25 39.77 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -74.87 136.35 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.429 0.633 . . . . 0.0 110.523 -174.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.511 ' HB2' ' CG1' ' B' ' 119' ' ' ILE . 14.7 m120 -108.16 135.05 50.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.632 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -63.95 -28.04 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.405 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -75.28 -22.44 57.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.462 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.511 ' CG1' ' HB2' ' B' ' 116' ' ' ASN . 26.2 mm -76.62 -37.14 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.44 -49.02 78.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.013 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.03 -60.71 2.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.996 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 p -60.17 -39.97 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.135 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -62.64 -58.35 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.418 HG21 ' HG3' ' B' ' 59' ' ' GLU . 52.7 mt -59.48 -41.17 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.57 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.82 -60.35 2.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.757 -174.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -34.87 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -175.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.28 -40.15 93.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.68 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.401 ' CB ' HG12 ' B' ' 53' ' ' ILE . 34.9 mmtp -77.14 -30.5 55.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.636 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 62.3 mt -73.81 -22.18 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.829 0.347 . . . . 0.0 111.214 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -85.94 -17.12 36.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.102 0.477 . . . . 0.0 110.149 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -90.12 0.37 57.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.811 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.15 -23.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.075 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 130' ' ' LEU . 40.3 mtmt -87.57 101.68 13.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.564 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.905 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.59 137.52 33.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.615 2.21 . . . . 0.0 112.155 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -74.08 76.12 1.74 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.376 0.607 . . . . 0.0 110.926 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.3 mtm -74.38 139.79 44.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.814 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -66.22 129.08 38.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.15 167.16 10.39 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.028 -174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -125.06 13.06 8.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.603 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -58.03 -46.42 85.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.243 -179.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.777 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.571 0.224 . . . . 0.0 110.924 177.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -66.77 -31.66 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.205 0.526 . . . . 0.0 110.122 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.493 ' HB3' HD12 ' B' ' 130' ' ' LEU . 11.5 mm100 -76.6 -43.31 39.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.527 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 8' ' ' GLU . 7.4 mp -50.2 -54.56 20.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.825 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.2 mt -54.27 -50.78 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.907 -172.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 2.3 t70 -76.73 -27.12 55.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.438 -174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 68.8 t80 -62.62 -52.69 62.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.128 0.49 . . . . 0.0 109.935 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.17 -39.34 72.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.222 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 40.5 ttt180 -61.73 -43.89 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.766 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 57.7 mt-10 -61.83 -39.03 90.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 mt -57.49 -47.5 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.163 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.79 -24.41 76.35 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.652 -0.703 . . . . 0.0 113.236 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.17 -30.83 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.429 0.615 . . . . 0.0 111.243 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 18' ' ' GLU . 17.4 m -101.79 -11.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.539 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.47 37.4 5.59 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.057 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' B' ' 54' ' ' TYR . 94.7 mt -103.26 -23.72 13.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.354 0.597 . . . . 0.0 109.931 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' B' ' 73' ' ' LEU . 66.5 tp -92.08 -11.4 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.802 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.11 144.03 55.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.42 175.19 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.157 0.503 . . . . 0.0 111.495 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -147.69 127.38 13.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.711 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 73.9 mt -108.3 133.66 52.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.955 0.407 . . . . 0.0 111.986 -173.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 175.25 7.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.391 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -56.87 -41.44 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.419 . . . . 0.0 110.66 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.22 -43.2 95.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.696 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.1 mm-40 -67.88 -32.32 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.327 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.48 -30.4 63.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.328 0.585 . . . . 0.0 109.739 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.15 -34.87 68.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.078 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.47 -25.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.626 0.25 . . . . 0.0 111.373 -177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.7 mt -94.3 -48.95 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.627 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -83.27 -17.68 41.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.315 0.579 . . . . 0.0 110.061 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.18 -0.36 89.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.196 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.498 177.178 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.98 0.419 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.504 ' N ' HD21 ' B' ' 42' ' ' ASN . 0.8 OUTLIER -95.04 -161.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.03 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -83.14 161.96 21.44 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.422 HG22 ' NE2' ' B' ' 55' ' ' GLN . 4.2 p -108.52 165.52 11.47 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.545 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 19' ' ' LEU . 42.9 mt -77.1 179.77 6.08 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.247 0.546 . . . . 0.0 111.954 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -86.36 -41.81 14.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -99.31 129.94 45.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.976 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.38 -31.89 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.871 0.367 . . . . 0.0 110.686 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.24 63.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -98.99 -44.91 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.153 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.446 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.9 t70 -55.63 -36.01 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.457 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.88 -46.95 64.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.418 HG12 ' HB2' ' B' ' 129' ' ' LYS . 5.1 mp -70.34 -41.3 78.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.881 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.482 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 89.7 t80 -59.45 -37.86 79.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.894 0.378 . . . . 0.0 110.944 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.8 mm-40 -81.11 -21.04 40.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -113.85 31.99 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.405 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -147.49 102.8 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.063 0.458 . . . . 0.0 110.53 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.61 -32.22 57.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.381 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 12.6 mm-40 -66.77 -36.17 81.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.314 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.53 -28.51 61.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.86 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 6.6 tp-100 -78.34 -36.63 46.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.569 -178.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 20.1 pt-20 -62.83 -29.41 70.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.025 0.441 . . . . 0.0 110.346 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.38 -38.2 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.19 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.12 5.4 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.535 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 30.4 mmmt -97.38 -14.52 21.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.106 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -83.8 132.8 34.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -67.96 -27.19 66.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.428 HG21 ' CD2' ' A' ' 37' ' ' LEU . 80.0 m -74.98 -34.4 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.499 0.666 . . . . 0.0 110.259 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -71.69 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.115 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -55.25 -36.8 66.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.73 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 37' ' ' LEU . 54.6 t80 -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.302 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -71.5 -35.98 70.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.637 ' O ' HG21 ' B' ' 76' ' ' VAL . 86.8 mt -72.0 -33.4 68.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.671 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.72 -31.41 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.797 0.332 . . . . 0.0 110.623 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.7 mtpt -65.23 -29.66 70.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.637 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.3 m -83.54 -31.3 8.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.601 -0.44 . . . . 0.0 109.832 177.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.1 t80 -59.56 -38.57 81.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.046 0.451 . . . . 0.0 110.141 176.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 93.4 mtt180 -59.72 -32.09 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.327 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -71.17 -54.43 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.544 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -59.74 -23.94 63.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.681 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -76.71 -52.18 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.987 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -177.4 111.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.513 0.508 . . . . 0.0 110.571 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.54 ' HB ' HE22 ' B' ' 97' ' ' GLN . 6.3 t -87.39 -33.89 18.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . 0.626 ' C ' HD21 ' B' ' 85' ' ' ASN . 14.2 m -143.78 152.5 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.111 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . 0.626 HD21 ' C ' ' B' ' 84' ' ' VAL . 0.9 OUTLIER -128.23 30.73 5.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.45 -37.73 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.078 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.31 -16.94 8.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.549 175.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -67.62 119.48 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.16 0.48 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -147.65 35.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.75 -44.52 96.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.753 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.529 ' HB3' ' HZ3' ' B' ' 91' ' ' LYS . 9.0 mtpm? -97.86 23.35 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' MET . . . . . 0.503 ' HG3' ' H ' ' B' ' 95' ' ' ASP . 17.9 tpp 64.59 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 122.9 1.334 . . . . 0.0 112.432 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.557 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 2.5 t-20 -67.52 -39.51 85.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.235 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.3 t -64.01 -36.59 84.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.049 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.503 ' H ' ' HG3' ' B' ' 92' ' ' MET . 24.8 t70 -65.38 -36.31 83.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.407 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -72.39 -31.17 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.18 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.54 HE22 ' HB ' ' B' ' 83' ' ' THR . 0.0 OUTLIER -63.94 -39.77 94.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.588 177.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.568 ' O ' HG21 ' B' ' 102' ' ' VAL . 12.9 mptt -55.25 -48.1 74.45 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.366 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.35 -54.09 50.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.96 -37.48 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -48.49 73.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.568 HG21 ' O ' ' B' ' 98' ' ' LYS . 48.0 t -63.48 -32.71 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 0.0 110.709 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -54.21 -35.11 62.04 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.621 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.1 m-85 -73.65 -46.41 46.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.19 -33.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.47 -37.11 86.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.89 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 59.2 p -81.6 -5.51 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.998 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 84.4 mt -104.07 -9.33 18.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.671 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.88 170.19 9.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -48.08 131.72 15.77 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.299 0.571 . . . . 0.0 111.872 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.56 45.52 7.3 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.212 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.02 -166.56 12.4 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.593 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.9 pt -95.43 -44.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.903 0.382 . . . . 0.0 111.407 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -126.12 40.38 3.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.526 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -78.92 143.44 35.83 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.068 -170.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -134.04 132.89 40.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.105 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.49 -23.97 67.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.666 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.5 65.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.6 mm -75.44 -39.07 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.34 -45.85 86.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.952 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -44.45 94.25 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.207 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -51.75 -54.47 28.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.187 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.31 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.558 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 80.1 mm-40 -66.36 -51.92 52.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.257 -171.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.11 -39.43 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.179 0.514 . . . . 0.0 110.926 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.45 -58.4 3.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.998 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.421 HD13 ' C ' ' B' ' 127' ' ' LEU . 2.5 pp -59.35 -31.1 68.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.505 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 16.8 t70 -54.79 -48.92 72.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.801 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.418 ' HB2' HG12 ' B' ' 53' ' ' ILE . 61.0 mmtt -80.09 -27.82 39.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.951 -175.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 11' ' ' GLN . 90.9 mt -70.43 -35.03 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.632 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -81.73 -9.37 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.077 0.465 . . . . 0.0 110.267 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -96.03 2.23 53.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.291 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 5.7 p -117.02 -38.12 2.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -78.68 115.94 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.686 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.415 ' HD2' ' H ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.268 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.63 115.27 2.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.611 2.207 . . . . 0.0 111.928 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -83.43 84.78 7.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.424 0.63 . . . . 0.0 109.981 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptm -91.45 29.09 1.54 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.849 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.58 157.92 45.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -171.47 153.09 3.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -140.81 19.37 2.32 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.611 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -61.7 -33.58 74.26 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 169.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.678 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 p30 -59.14 -28.52 66.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.103 -175.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 m -52.29 -36.69 53.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 110.761 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' HB3' HD13 ' B' ' 130' ' ' LEU . 15.8 mm100 -83.88 -38.29 21.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.9 mp -57.9 -47.63 82.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.011 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 71.4 mt -55.83 -49.64 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.262 -173.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 8.3 m-20 -66.0 -36.44 83.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 178.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.554 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 t80 -62.03 -54.0 47.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.95 -37.9 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 0.0 110.433 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 72.1 ttt180 -62.17 -47.45 84.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.758 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 52.9 mt-10 -63.27 -31.92 73.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.6 mt -57.7 -51.57 69.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.066 0.46 . . . . 0.0 110.008 176.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.82 -26.08 74.63 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.215 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -68.6 -37.25 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.217 0.509 . . . . 0.0 111.389 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 18' ' ' GLU . 26.1 m -99.01 -20.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.324 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 103.61 38.08 2.86 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.012 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -107.87 -10.61 15.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.403 0.62 . . . . 0.0 110.492 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 60.1 tp -97.38 -2.24 42.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.666 171.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 6.2 pt-20 -53.77 141.67 26.08 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.501 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -150.69 167.34 27.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.352 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -153.98 114.49 3.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 56.0 mt -93.15 133.11 36.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.117 -172.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -96.93 179.53 4.91 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.39 -38.51 71.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 110.698 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -66.08 -42.77 88.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.65 -33.73 69.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.158 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 99.1 mttt -79.73 -22.03 43.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.535 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 23.9 t70 -72.73 -32.83 66.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.931 -177.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -84.33 -26.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.918 0.39 . . . . 0.0 111.118 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 mt -93.9 -55.3 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.274 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -92.4 -25.07 18.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.241 0.543 . . . . 0.0 110.67 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 80.07 14.72 80.2 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.07 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.3 -176.369 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.238 0.542 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -123.23 160.12 27.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.87 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.64 160.48 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.542 0.687 . . . . 0.0 111.213 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.491 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -112.5 178.09 4.42 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.304 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.46 HD23 HD22 ' A' ' 19' ' ' LEU . 50.7 mt -75.73 -176.48 3.34 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.423 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 35.5 mtpt -92.34 -46.42 7.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.317 0.579 . . . . 0.0 109.943 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -89.08 126.52 35.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 174.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -67.76 -33.45 74.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.811 0.338 . . . . 0.0 110.717 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.855 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.26 -45.95 7.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.16 0.505 . . . . 0.0 109.967 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.14 -35.43 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.109 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -53.41 -48.48 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.37 -41.75 89.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 0.0 110.827 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -58.39 -35.77 72.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.726 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.491 ' NE2' HG22 ' B' ' 44' ' ' THR . 65.1 mm-40 -86.23 -17.19 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -113.81 28.97 8.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -147.0 90.53 1.91 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.05 0.452 . . . . 0.0 111.074 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.29 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.671 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 28.7 mt-10 -65.03 -45.35 85.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.068 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.55 -34.81 79.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.625 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -70.64 -40.13 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.828 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.9 pt-20 -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 110.88 -174.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 44.9 mt -74.18 -33.06 63.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.301 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.577 ' O ' ' HD3' ' B' ' 70' ' ' LYS . 33.0 mt -77.78 17.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' B' ' 63' ' ' LEU . 32.4 mmmt -104.17 -5.64 21.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.578 ' O ' HG21 ' B' ' 69' ' ' VAL . 94.4 m-85 -93.84 118.29 31.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 83.5 m-20 -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -59.01 -39.05 80.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 111.422 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.578 HG21 ' O ' ' B' ' 66' ' ' TYR . 2.8 m -83.33 -40.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' B' ' 64' ' ' LEU . 57.8 mtmt -62.62 -36.76 83.81 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.26 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.56 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 50.6 t80 -55.17 -49.62 71.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.79 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -69.63 -38.31 77.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.131 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.63 ' O ' HG23 ' B' ' 76' ' ' VAL . 95.8 mt -68.19 -36.87 80.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -68.01 -26.14 65.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 58.9 mtpt -66.67 -32.02 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.63 HG23 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -79.32 -31.66 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.728 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.39 -36.91 79.21 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.285 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 21.2 mtm180 -59.19 -34.11 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.212 0.53 . . . . 0.0 110.144 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.43 -46.38 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.262 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -68.54 -10.95 59.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.201 0.524 . . . . 0.0 110.464 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t -85.27 5.8 28.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.757 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' SER . . . . . 0.439 ' HA ' ' HG3' ' B' ' 97' ' ' GLN . 52.5 m 73.6 141.65 0.06 Allowed 'General case' 0 C--N 1.34 0.181 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.532 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.6 t -72.86 -15.62 61.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 m -134.23 175.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.993 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -98.94 23.59 8.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.195 0.522 . . . . 0.0 110.744 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -105.43 -52.0 2.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.339 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' B' ' 88' ' ' SER . . . 80.2 -2.95 74.1 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 115.779 -0.646 . . . . 0.0 113.097 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' B' ' 87' ' ' GLY . 31.4 t 71.71 144.17 0.06 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.694 0.759 . . . . 0.0 111.359 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.9 p -97.21 -3.85 40.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.713 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.07 4.44 31.79 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.974 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 59.35 33.14 22.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 114.924 -0.638 . . . . 0.0 111.773 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 76.3 mmm -95.48 -50.15 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.669 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 2.9 t-20 -55.27 -47.63 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -67.57 -27.28 66.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.141 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' B' ' 98' ' ' LYS . 29.2 t70 -80.69 -32.97 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.687 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.9 pp -70.52 -26.76 63.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.9 mm100 -58.24 -34.34 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.426 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.61 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -59.08 -44.47 91.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.82 -47.9 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.46 -33.08 74.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.82 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.071 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.8 t -60.23 -36.24 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.547 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -57.12 -30.04 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.274 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.626 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.4 m-85 -79.54 -40.06 30.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.603 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.5 -29.62 67.3 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.799 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -69.37 -34.12 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.377 . . . . 0.0 110.715 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 45.0 p -81.69 -14.38 56.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.6 mt -95.5 -2.88 47.74 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.007 174.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -89.67 164.7 14.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.156 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.577 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 49.1 t80 -49.38 132.55 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 111.466 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.36 72.3 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.729 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.89 -152.45 22.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.281 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 pt -115.47 -33.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 0.0 111.267 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -130.79 39.39 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -76.0 139.09 41.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.352 0.596 . . . . 0.0 110.509 -174.271 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -118.39 144.74 45.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.779 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.81 72.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.081 -176.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.531 ' HB1' HG12 ' B' ' 69' ' ' VAL . . . -84.09 -29.77 26.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.463 HG22 ' HB3' ' B' ' 108' ' ' LEU . 41.3 mm -64.38 -43.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.64 176.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.577 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 19.4 mt-10 -61.93 -48.68 79.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.695 176.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.96 -41.73 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -55.39 -61.74 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.442 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . 0.413 ' HB2' HD23 ' A' ' 12' ' ' LEU . 26.2 p -59.73 -41.12 90.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.239 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 84.1 mm-40 -70.1 -46.1 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 -174.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.81 -35.65 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.555 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' B' ' 130' ' ' LEU . 1.2 tm? -68.98 -59.78 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.057 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.452 ' HB3' HD12 ' A' ' 12' ' ' LEU . 1.9 pp -57.42 -30.54 65.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.8 t70 -54.25 -51.28 65.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.122 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -81.22 -31.33 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.697 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 11' ' ' GLN . 13.7 mt -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -91.47 -1.85 57.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.852 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.56 -1.27 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.56 -24.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.466 0.65 . . . . 0.0 109.75 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -74.09 103.5 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.716 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.819 178.288 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.4 112.93 2.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.436 2.09 . . . . 0.0 111.787 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -72.37 74.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.434 0.635 . . . . 0.0 111.164 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 mtm -81.73 147.18 29.6 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.753 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -95.87 142.28 28.32 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.434 ' C ' HD21 ' A' ' 7' ' ' ASN . . . -106.88 96.27 6.32 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.25 0.547 . . . . 0.0 110.164 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.434 HD21 ' C ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -111.92 7.95 20.16 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.906 -176.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.8 pm0 -59.98 -34.21 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.19 0.519 . . . . 0.0 109.74 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.735 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 p30 -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.106 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 t -59.49 -38.61 81.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.084 0.468 . . . . 0.0 109.775 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' HB3' HD12 ' B' ' 130' ' ' LEU . 16.1 mm100 -72.59 -37.04 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.088 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 90.9 mt -56.72 -52.68 64.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 173.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 63.5 mt -57.48 -45.96 84.26 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.171 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.89 -36.23 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.342 -176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CD1' HD22 ' B' ' 126' ' ' LEU . 62.3 t80 -69.77 -52.77 22.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.627 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.73 -39.64 48.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.592 0.71 . . . . 0.0 110.414 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 68.7 ttt180 -61.63 -45.6 93.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.315 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.73 -28.79 69.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.592 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 HD22 ' B' ' 45' ' ' LEU . 47.6 mt -62.91 -52.02 64.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.364 0.602 . . . . 0.0 110.145 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.76 -20.94 74.69 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.702 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.38 -38.36 74.71 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.16 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' HD3' ' B' ' 46' ' ' LYS . 5.6 m -98.14 -19.82 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 111.349 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.45 38.11 2.89 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.82 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.9 mt -97.54 -27.45 14.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 110.127 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' B' ' 73' ' ' LEU . 50.4 tp -86.96 -17.07 33.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.71 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.35 142.42 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.427 ' HE2' ' CB ' ' B' ' 74' ' ' ALA . 49.0 p90 -143.69 178.73 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 -171.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.21 133.78 23.48 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.39 139.31 51.03 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.969 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 p -92.34 171.22 9.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.779 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -56.31 -38.06 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.87 0.367 . . . . 0.0 111.304 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -67.37 -40.44 85.75 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.313 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.6 mt-10 -72.81 -28.73 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.64 -26.55 57.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.017 0.437 . . . . 0.0 110.257 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.99 -35.23 76.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.078 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -84.22 -23.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.91 0.385 . . . . 0.0 111.263 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.3 mt -93.61 -52.47 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.182 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -81.1 -24.46 37.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.991 0.424 . . . . 0.0 110.508 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.17 2.52 70.07 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.5 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.591 -0.719 . . . . 0.0 110.071 179.094 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -132.81 -163.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.56 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -82.47 171.69 13.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.362 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.11 167.55 10.58 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.057 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.506 HD22 HD22 ' A' ' 19' ' ' LEU . 39.1 mt -76.12 177.94 6.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 111.451 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.427 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.4 mmmm -84.91 -55.19 4.2 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.6 m -84.82 126.44 33.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.127 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -62.93 -35.23 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.412 ' O ' HD11 ' B' ' 53' ' ' ILE . . . -60.88 -36.43 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.627 177.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.11 -43.87 20.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.842 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.8 t70 -56.66 -34.88 67.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.38 -52.68 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.223 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.4 mp -67.09 -40.99 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.888 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.87 -36.97 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.052 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 72.1 mm-40 -83.26 -19.87 35.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.994 0.426 . . . . 0.0 110.457 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -110.77 30.57 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -146.13 85.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.219 0.533 . . . . 0.0 111.181 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.7 67.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -77.7 -20.33 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 0.0 110.187 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 tp -85.54 -45.91 11.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -56.09 -28.94 59.7 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.942 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 -24.06 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.693 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.56 -33.44 47.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.037 0.446 . . . . 0.0 110.162 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.76 11.06 2.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.346 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.62 -9.38 23.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 109.883 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.461 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 90.2 m-85 -88.59 122.53 32.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.565 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.31 -23.46 67.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.928 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -67.24 -48.26 68.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' B' ' 119' ' ' ILE . 55.8 t -60.12 -57.84 9.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.769 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 24.3 mtpp -53.11 -37.14 61.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.375 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.07 -53.02 60.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -65.4 -36.01 82.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.975 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.624 ' O ' HG21 ' B' ' 76' ' ' VAL . 87.1 mt -73.26 -33.23 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.427 ' CB ' ' HE2' ' A' ' 27' ' ' TYR . . . -66.52 -32.43 73.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 0.0 110.774 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -62.81 -31.95 73.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.031 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -83.29 -30.8 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 20.4 t80 -60.37 -36.34 77.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 97.3 mtt180 -58.46 -34.3 70.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.308 0.575 . . . . 0.0 110.563 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -71.62 -46.41 62.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.01 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -71.18 -15.77 62.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -90.99 18.4 6.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.5 m 72.87 126.06 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.343 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -63.01 -24.43 67.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.372 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 9.7 m -127.88 149.24 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.846 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -85.36 35.33 0.59 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.277 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -105.1 -79.39 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.69 83.44 1.46 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.407 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.4 p -85.49 149.65 25.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.671 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.7 m -104.29 153.11 21.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.95 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.39 -57.37 4.89 Favored Glycine 0 C--N 1.33 0.22 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -86.0 81.28 8.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 52.6 mtp -42.79 120.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.344 -174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASN . . . . . 0.524 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 2.9 t-20 -105.13 -54.75 2.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.798 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 10.8 p -59.74 -35.33 74.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.651 -175.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.86 -25.56 62.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.736 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.8 OUTLIER -79.04 -28.19 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.24 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.523 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -65.11 -30.49 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.755 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.569 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -58.06 -38.99 77.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.901 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.15 -55.83 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.037 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.87 -36.31 74.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.659 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.28 -49.49 75.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.722 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 98' ' ' LYS . 61.0 t -61.91 -36.19 72.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.531 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.14 -29.6 65.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.101 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.3 -48.49 19.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.898 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.26 -25.29 67.75 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.005 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.73 -14.24 62.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.521 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.2 p -97.93 -10.85 23.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.205 0.526 . . . . 0.0 109.657 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.506 ' HB3' HG22 ' B' ' 119' ' ' ILE . 4.3 mm? -100.11 -23.14 14.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.094 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -72.6 149.7 43.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.091 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -46.3 110.99 0.32 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.732 0.645 . . . . 0.0 111.443 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.61 -10.81 11.32 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.49 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.11 -173.81 46.4 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.778 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 23.2 pt -82.25 -41.65 18.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.951 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -121.7 45.42 2.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.8 OUTLIER -74.95 148.29 40.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.588 -174.427 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.47 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -126.51 138.93 53.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.281 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.44 -23.66 63.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.365 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.85 65.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.506 HG22 ' HB3' ' B' ' 108' ' ' LEU . 23.7 mm -75.23 -39.14 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 14.4 tp10 -60.18 -51.36 69.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.208 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.44 -40.39 90.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.473 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.73 -56.09 20.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 62.0 m -55.16 -50.21 69.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.535 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 77.6 mm-40 -64.44 -57.08 10.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.732 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.432 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 74.7 mt -57.44 -41.02 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.928 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -69.83 -61.08 1.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.122 -177.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.404 HD11 ' C ' ' B' ' 127' ' ' LEU . 2.5 pp -60.51 -28.28 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.633 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 20.6 t70 -57.49 -47.26 82.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 0.0 110.551 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' B' ' 53' ' ' ILE . 53.5 mmtt -77.81 -28.71 50.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.276 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 11' ' ' GLN . 89.4 mt -69.41 -32.92 72.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.642 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -85.84 -10.47 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.034 0.445 . . . . 0.0 110.435 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.23 -7.81 50.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.237 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.51 -29.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.915 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 128.12 35.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.835 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.503 -0.76 . . . . 0.0 109.814 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.2 pt-20 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.361 0.124 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.792 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 8.5 m-80 -57.82 -41.92 83.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -55.91 -47.29 77.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.74 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.524 ' HB2' HD13 ' B' ' 130' ' ' LEU . 36.4 mt-30 -70.52 -38.94 74.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.9 mp -54.13 -43.13 70.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.28 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 58.3 mt -61.96 -51.54 67.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.438 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -69.73 -28.0 65.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.764 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.662 ' CD2' HD11 ' B' ' 126' ' ' LEU . 64.5 t80 -61.01 -57.24 13.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.787 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 72.9 mt -59.21 -35.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.655 0.74 . . . . 0.0 110.299 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 59.3 ttt180 -60.62 -43.01 97.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.133 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 52.9 mt-10 -66.11 -35.21 79.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.045 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 15' ' ' PHE . 9.7 mp -54.09 -51.7 63.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.96 0.41 . . . . 0.0 110.548 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.54 -17.19 77.75 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.234 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.03 -30.62 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 111.08 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG23 ' HG ' ' A' ' 24' ' ' LEU . 23.1 m -101.58 -17.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.61 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.14 32.23 3.83 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.844 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.8 mt -101.41 -6.69 23.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.006 0.431 . . . . 0.0 110.164 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 22.7 tp -105.99 -4.22 20.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.485 0.659 . . . . 0.0 110.706 -175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.03 142.69 45.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.575 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.647 ' HB3' ' HG2' ' B' ' 70' ' ' LYS . 55.1 p90 -152.97 172.41 16.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 111.929 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 134.11 22.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.963 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.2 mt -117.9 135.07 54.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.911 0.386 . . . . 0.0 111.11 -177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -83.38 168.99 16.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -52.75 -44.07 66.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.02 -40.58 96.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.2 mt-10 -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.66 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -76.28 -29.49 57.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.223 0.535 . . . . 0.0 110.249 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.8 -34.33 69.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.233 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.98 -25.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 111.169 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 60.9 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.533 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.333 0.587 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.01 159.61 26.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.112 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 mt -74.01 171.86 12.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.338 0.589 . . . . 0.0 111.104 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -96.3 -36.59 10.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.121 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -93.65 124.52 37.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.869 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -65.14 -34.25 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.78 78.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -83.68 -41.04 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -55.14 -34.03 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.04 -50.9 63.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.049 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.2 mp -65.96 -47.32 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -55.67 -31.01 62.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.88 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.0 mm-40 -90.42 -22.13 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -107.75 26.44 10.31 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.7 m -147.08 88.3 1.72 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.162 0.506 . . . . 0.0 111.195 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.797 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 3.6 pm0 -68.73 -22.48 64.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.95 -37.64 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.501 ' HG3' ' NZ ' ' B' ' 65' ' ' LYS . 43.8 tp60 -72.92 -33.23 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.42 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.25 -36.75 83.83 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.375 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 68.9 mt -68.18 -38.2 81.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.193 0.521 . . . . 0.0 110.434 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 31.4 tp -70.99 -9.12 57.43 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.301 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.501 ' NZ ' ' HG3' ' B' ' 61' ' ' GLN . 60.9 mttp -79.43 -24.66 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -72.04 128.34 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -64.55 -24.32 67.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -70.75 -38.31 73.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.497 0.665 . . . . 0.0 109.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.547 ' HA ' HD11 ' B' ' 119' ' ' ILE . 72.8 t -69.06 -57.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.856 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.647 ' HG2' ' HB3' ' A' ' 27' ' ' TYR . 4.1 tppp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 37' ' ' LEU . 40.8 t80 -61.86 -50.86 70.54 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -67.64 -27.71 67.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.424 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.484 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.9 mt -75.96 -28.3 57.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.422 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -69.62 -30.13 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.553 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.07 -39.2 81.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.484 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.3 m -84.1 -28.72 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.944 -176.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -61.14 -33.32 73.21 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -58.02 -38.62 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.118 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 68.6 mt -69.75 -49.43 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.602 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.7 mm? -64.93 -18.48 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.059 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 177.853 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 120.925 0.393 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -60.79 -30.77 70.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.471 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.8 mptt -52.61 -44.36 65.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.813 174.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -65.55 -51.94 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.18 -31.54 70.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.641 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -69.19 -48.76 61.22 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.564 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 98' ' ' LYS . 96.8 t -59.41 -35.75 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.691 0.281 . . . . 0.0 110.314 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -52.37 -35.24 50.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.421 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.2 m-85 -74.64 -51.57 14.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.65 -25.76 68.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.583 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.48 -23.46 66.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.698 0.285 . . . . 0.0 111.13 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.7 p -96.56 -4.58 41.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.163 0.506 . . . . 0.0 110.027 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.7 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -104.53 -24.28 13.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.677 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.4 ' HG2' ' SG ' ' B' ' 123' ' ' CYS . 30.9 mtp180 -82.16 -177.66 6.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.321 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -55.29 122.97 12.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.239 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.81 22.64 52.57 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.284 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.9 -159.51 32.33 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.646 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 pt -105.38 -42.43 7.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 120.8 0.333 . . . . 0.0 111.283 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -122.25 45.89 2.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -75.33 151.53 38.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.041 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.76 142.26 51.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.601 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.38 -36.14 79.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.993 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.83 -24.19 48.75 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.7 HG21 ' HB3' ' B' ' 108' ' ' LEU . 32.1 mm -80.08 -40.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 2.4 tm-20 -56.19 -52.18 65.35 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.09 -37.4 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 43.1 t80 -53.51 -54.24 40.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.603 0.24 . . . . 0.0 110.441 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' B' ' 109' ' ' ARG . 28.1 p -66.79 -38.25 86.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.799 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 77.9 mm-40 -62.88 -53.2 57.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.636 0.255 . . . . 0.0 111.216 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 59' ' ' GLU . 74.3 mt -62.96 -41.68 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.662 HD11 ' CD2' ' A' ' 15' ' ' PHE . 1.2 tt -60.96 -61.54 2.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.352 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.02 -25.87 68.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.21 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 35.6 t70 -55.23 -51.25 67.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.423 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.556 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.3 mmtt -76.35 -29.42 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.169 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 11' ' ' GLN . 85.7 mt -64.19 -31.78 73.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.343 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -89.9 -18.52 25.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.349 . . . . 0.0 110.748 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.376 -179.18 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 120.756 0.312 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.796 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 m-80 -59.28 -40.97 87.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -55.56 -35.28 65.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.918 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -79.6 -41.0 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.135 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 126' ' ' LEU . 8.5 mp -57.15 -42.66 81.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 177.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 77.5 mt -58.39 -51.32 70.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.816 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.1 m-20 -71.82 -26.02 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.043 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' B' ' 126' ' ' LEU . 50.3 t80 -63.57 -52.34 61.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.1 -36.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.377 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 49.4 ttt180 -63.23 -49.36 74.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.796 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 64.9 mt-10 -63.44 -38.76 92.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 110.209 177.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.03 -51.87 54.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.723 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.32 -31.53 68.7 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.996 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.75 -30.72 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.948 0.374 . . . . 0.0 111.713 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' GLU . 18.9 m -98.1 -9.39 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 0.0 110.888 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.55 7.98 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.099 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 87.5 mt -98.75 -18.3 18.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.406 0.622 . . . . 0.0 109.943 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 73' ' ' LEU . 56.6 tp -99.0 -8.33 25.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.375 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.11 144.25 57.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -145.41 175.55 10.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.728 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -146.28 124.98 12.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -106.17 130.27 54.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.53 . . . . 0.0 111.935 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -85.82 175.69 8.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.16 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.05 -39.71 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -67.83 -42.43 81.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.69 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.2 mm-40 -65.59 -30.77 71.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.48 -28.07 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.153 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.39 -34.82 73.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.16 -23.61 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 52.3 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.142 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.223 0 CA-C-O 121.383 0.611 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -115.29 170.45 8.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.295 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.64 174.04 11.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.085 0.469 . . . . 0.0 110.677 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.42 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 18.5 mtpp -92.57 -36.77 12.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.333 -173.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -92.28 125.2 36.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.25 -33.94 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.94 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -80.79 -44.62 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.431 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 31.5 t70 -55.77 -33.2 64.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.052 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -56.91 -48.19 78.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.164 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.21 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.5 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 42.8 t80 -60.39 -26.74 66.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.003 -177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.1 mm-40 -94.57 -17.01 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.25 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.7 m -108.62 87.35 2.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.446 0.641 . . . . 0.0 110.168 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.79 57.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.657 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' B' ' 125' ' ' ILE . 14.2 pt-20 -72.75 -19.93 61.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 109.853 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -77.27 -30.95 54.59 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 49.2 tp60 -76.03 -36.53 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.564 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.8 pt-20 -62.9 -28.78 70.29 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.652 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 48.3 mt -71.15 -36.05 71.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.308 0.575 . . . . 0.0 109.677 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 25.9 mt -77.7 14.62 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.629 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 50.4 mtpt -105.39 -11.18 16.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.532 . . . . 0.0 109.721 175.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.451 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 97.4 m-85 -89.04 131.27 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.03 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.4 -23.77 63.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.93 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.8 m -73.88 -34.23 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.597 0.713 . . . . 0.0 109.728 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' B' ' 118' ' ' ALA . 90.7 t -68.97 -60.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.525 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 36.0 mtpt -55.15 -37.84 67.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.211 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.7 -51.03 70.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.939 0.399 . . . . 0.0 111.388 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -66.32 -34.71 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.204 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.584 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.0 mt -75.65 -33.41 60.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.46 -30.56 70.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.736 0.303 . . . . 0.0 110.759 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -76.88 -31.3 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.259 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.4 t80 -56.17 -41.33 75.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 32.6 mtm180 -61.82 -34.76 76.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -67.25 -45.2 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.01 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -63.73 -24.1 67.64 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.977 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.858 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.48 -24.41 67.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.518 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.4 mptt -51.2 -52.54 43.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.976 173.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -51.84 67.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.986 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.51 -34.59 78.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -66.39 -44.87 81.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.594 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 64.4 t -60.75 -35.36 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.753 0.311 . . . . 0.0 110.465 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.2 -29.61 61.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.584 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 5.2 m-85 -81.6 -42.2 20.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 105' ' ' LEU . 3.7 mm? -64.68 -31.46 72.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.487 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.28 -31.68 72.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.984 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.2 p -88.61 -6.55 57.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.137 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.582 ' HB3' HG21 ' B' ' 119' ' ' ILE . 74.5 mt -107.2 -18.31 13.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.394 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -79.6 172.66 13.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.18 137.46 57.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.332 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.52 39.62 14.4 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.791 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.74 -151.17 13.54 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.7 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -116.63 -39.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.669 0.271 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -131.75 46.52 2.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 4.2 p90 -81.13 151.23 28.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.962 -171.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.53 140.35 52.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.493 -177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.43 -31.68 71.62 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.953 -170.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -73.89 -27.46 61.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.833 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' B' ' 108' ' ' LEU . 30.5 mm -77.21 -38.22 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tm-20 -59.73 -51.59 69.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.463 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.31 -36.68 83.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -51.79 -53.58 38.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.833 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 65.0 m -59.31 -45.78 90.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.528 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 34.6 mm-40 -62.17 -55.11 31.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.533 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.565 HG21 ' HG3' ' B' ' 59' ' ' GLU . 77.1 mt -62.82 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 12' ' ' LEU . 39.6 tp -70.8 -51.06 29.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.656 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.422 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.1 pp -65.22 -26.87 68.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.23 -54.77 39.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -80.87 -24.11 38.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 38.9 mt -71.12 -25.63 62.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.235 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.96 -20.47 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.85 0.357 . . . . 0.0 111.006 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.294 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.1 pt-20 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -57.61 -40.6 79.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.596 -178.543 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -65.94 -37.32 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 0.0 110.273 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -71.89 -37.71 70.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.102 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.7 mp -54.45 -44.22 72.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.668 174.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 56.7 mt -58.54 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.149 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -37.79 80.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.4 t80 -63.8 -54.58 32.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.353 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 19' ' ' LEU . 69.1 mt -58.76 -38.89 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.483 0.658 . . . . 0.0 110.519 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -61.21 -46.5 90.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.94 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.43 -29.44 69.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.311 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 82.8 mt -57.73 -49.43 76.57 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 121.09 0.472 . . . . 0.0 109.862 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.43 -23.52 77.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.886 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.02 -44.95 71.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.658 0.266 . . . . 0.0 111.318 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.3 m -91.96 -19.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.152 0.501 . . . . 0.0 110.84 -175.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.69 38.13 3.05 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.543 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HG ' HG23 ' A' ' 22' ' ' VAL . 91.6 mt -96.28 -30.01 13.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.812 0.815 . . . . 0.0 109.235 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 73' ' ' LEU . 28.9 tp -86.27 -12.92 48.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.499 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 9.8 pt-20 -60.6 136.45 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.814 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 36.9 p90 -146.12 177.82 8.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.173 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -152.9 110.46 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 82.7 mt -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.721 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -82.74 170.23 15.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.732 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -53.32 -43.13 67.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.665 0.269 . . . . 0.0 111.349 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.7 -41.69 75.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.564 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 mt-10 -63.84 -28.21 69.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -81.19 -29.58 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.21 -30.61 67.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.148 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.9 m -83.9 -27.93 7.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.873 0.368 . . . . 0.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.436 HG23 ' NE2' ' B' ' 55' ' ' GLN . 3.8 m -135.75 150.95 49.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.452 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -69.3 167.97 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.982 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -98.18 -37.18 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.591 -173.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -91.47 121.44 33.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.986 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 15.0 tppt? -64.18 -32.63 74.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.427 -176.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.69 70.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -94.07 -36.66 12.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' B' ' 45' ' ' LEU . 22.9 t70 -55.41 -34.89 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.99 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -51.78 -51.01 59.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.869 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.47 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.1 mp -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.584 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HD22 ' A' ' 24' ' ' LEU . 33.5 t80 -59.48 -37.55 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.436 ' NE2' HG23 ' B' ' 44' ' ' THR . 56.2 mm-40 -86.86 -29.47 22.16 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.031 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.39 10.17 23.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.896 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -138.11 103.25 4.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.378 0.608 . . . . 0.0 110.785 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -23.68 52.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 26.2 mt-10 -68.1 -44.32 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.817 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.29 -36.0 80.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.486 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -64.41 -41.22 96.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.5 pt-20 -72.7 -22.76 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.832 0.349 . . . . 0.0 111.404 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.442 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -72.29 -31.64 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.791 0.329 . . . . 0.0 110.555 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.497 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 22.4 mt -77.86 16.78 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -104.6 5.69 33.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.098 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.633 ' O ' HG22 ' B' ' 69' ' ' VAL . 73.7 m-85 -110.8 115.38 29.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 79.5 m-20 -59.41 -29.67 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.568 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 54.0 m -59.62 -41.56 90.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.218 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -82.06 -38.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.048 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.497 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 48.0 mtpt -65.98 -33.38 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.343 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.441 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 40.7 t80 -56.04 -47.25 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.863 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.526 ' CG ' HD11 ' B' ' 108' ' ' LEU . 53.5 m80 -73.68 -38.68 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.203 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.616 ' O ' HG22 ' B' ' 76' ' ' VAL . 88.2 mt -65.43 -36.56 84.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.14 -23.84 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.451 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 45.1 mtpt -71.94 -30.82 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.9 m -79.59 -29.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.109 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -60.74 -33.03 72.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.077 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 79.5 mtt180 -62.07 -38.4 88.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.052 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.26 -50.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.31 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.43 -20.48 66.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.609 0.242 . . . . 0.0 111.214 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.681 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.438 -1.041 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -64.82 -29.76 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.304 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.509 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.5 mptp? -53.54 -54.31 39.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.311 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.04 -50.9 71.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -38.2 84.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.587 0.232 . . . . 0.0 111.344 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.517 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.08 -47.24 80.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.35 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.57 -37.05 76.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.882 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 10.9 m-80 -61.02 -25.35 66.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.542 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.04 -44.15 40.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -60.88 -24.36 65.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 110.737 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ASN . . . . . 0.45 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 13.2 m120 -60.68 -25.9 66.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -97.5 -1.8 43.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.117 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -105.04 -15.05 15.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.308 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -91.96 169.06 10.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.287 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -54.03 121.94 9.1 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.439 0.462 . . . . 0.0 111.101 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.05 15.56 28.03 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.526 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.78 -133.43 4.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.32 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.514 HG13 ' H ' ' B' ' 114' ' ' HIS . 5.5 pt -130.38 -54.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.964 0.412 . . . . 0.0 110.738 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.514 ' H ' HG13 ' B' ' 113' ' ' ILE . 28.7 m170 -117.62 46.03 1.82 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.499 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 5.3 p90 -74.98 149.08 39.43 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.561 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' B' ' 119' ' ' ILE . 12.9 m120 -110.51 133.02 53.67 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.295 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.9 OUTLIER -64.32 -25.2 67.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.442 -178.293 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.749 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -74.77 -36.51 62.56 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.796 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' B' ' 108' ' ' LEU . 38.4 mm -68.16 -37.53 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.702 0.287 . . . . 0.0 110.925 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tp10 -58.41 -51.49 69.59 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -67.4 -34.79 77.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 65.2 t80 -52.61 -50.85 62.24 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 67.5 m -58.6 -48.7 80.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.126 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 82.9 mm-40 -63.66 -53.78 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.283 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.41 -37.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 110.702 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 130' ' ' LEU . 0.8 OUTLIER -65.67 -62.45 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.732 0.777 . . . . 0.0 110.155 179.076 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.14 -27.35 68.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.102 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 9.9 t70 -54.23 -50.09 67.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.365 0.602 . . . . 0.0 109.938 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.47 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.0 mmtp -78.67 -27.41 45.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.326 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 126' ' ' LEU . 74.4 mt -63.18 -30.6 71.71 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 173.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.83 -15.82 23.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.03 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.211 0.529 . . . . 0.0 111.34 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.635 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.812 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 p-10 -58.04 -36.58 72.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -58.83 -48.87 79.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 0.0 110.012 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.437 ' CB ' HD13 ' B' ' 130' ' ' LEU . 20.8 mt-30 -62.81 -42.87 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.297 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 8' ' ' GLU . 3.2 mp -54.81 -41.17 70.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.848 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 89.0 mt -64.8 -48.87 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.239 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -68.02 -27.8 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.32 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' B' ' 126' ' ' LEU . 57.0 t80 -61.61 -59.43 5.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -53.53 -41.02 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.858 0.837 . . . . 0.0 110.257 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 45.3 ttt180 -58.13 -43.89 87.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.183 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -72.36 -31.72 65.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.816 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD12 HD21 ' B' ' 45' ' ' LEU . 9.9 mp -57.82 -49.29 77.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.615 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.19 70.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.5 -31.31 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.71 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' HG ' ' A' ' 24' ' ' LEU . 7.0 m -111.08 7.1 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.359 -176.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.06 32.34 39.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.221 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 54' ' ' TYR . 95.6 mt -102.29 1.82 36.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.5 . . . . 0.0 110.607 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' B' ' 73' ' ' LEU . 54.5 tp -117.79 -4.89 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.856 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.59 145.55 53.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 111.441 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -148.67 177.45 9.49 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.483 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.46 104.16 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 33' ' ' GLU . 50.3 mt -81.12 137.19 35.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.434 -173.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 p -82.61 174.99 10.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.723 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -56.24 -38.47 71.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.725 0.298 . . . . 0.0 111.21 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.63 -42.69 64.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.9 mt-10 -63.64 -28.31 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.33 -31.68 38.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.344 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.49 -32.78 73.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.342 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.46 -24.69 7.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.436 . . . . 0.0 111.311 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 71' ' ' PHE . 61.8 mt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.935 0.398 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -114.38 163.86 14.74 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 19' ' ' LEU . 51.0 mt -80.47 173.78 12.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.014 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -80.3 -54.34 5.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.408 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -83.39 130.05 35.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.953 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -70.15 -33.19 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.3 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.62 -9.29 48.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -106.06 -43.48 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.573 0.701 . . . . 0.0 109.493 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 24.8 t70 -56.7 -42.85 79.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.069 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.09 -35.93 76.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.462 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.5 mt -70.4 -44.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.697 0.284 . . . . 0.0 110.624 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 24' ' ' LEU . 49.1 t80 -60.71 -25.59 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 32.3 mm-40 -87.28 -27.23 23.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.268 0.556 . . . . 0.0 110.465 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -103.03 31.54 4.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.523 ' HB2' ' CB ' ' B' ' 60' ' ' LEU . 22.8 p -136.26 78.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.172 0.51 . . . . 0.0 111.192 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.73 65.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 9.0 mm-40 -80.24 -30.17 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' ' 122' ' ' PHE . 30.6 tp -83.77 -45.45 13.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.03 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 48.4 tp60 -58.35 -26.35 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 9.7 pt-20 -73.54 -19.74 60.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.902 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.99 -35.76 25.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.2 mm? -70.29 -4.2 20.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.345 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 59.1 mtpt -81.11 -19.55 43.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.037 0.446 . . . . 0.0 110.198 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -89.73 133.84 34.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.643 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -76.11 -22.33 55.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.575 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 37' ' ' LEU . 64.9 m -67.24 -37.96 84.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.88 0.848 . . . . 0.0 109.307 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' B' ' 118' ' ' ALA . 77.3 t -67.13 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.337 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -55.9 -33.05 64.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.096 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 37' ' ' LEU . 46.3 t80 -59.76 -55.16 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.413 ' CG ' HD11 ' B' ' 108' ' ' LEU . 24.0 m80 -68.7 -30.14 68.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 -176.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.642 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.9 mt -71.54 -36.54 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.467 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.26 -32.11 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.032 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -63.24 -32.18 73.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.642 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.7 m -82.1 -28.64 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.809 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 18.1 t80 -60.4 -31.43 70.36 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.185 177.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.871 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 60.1 mt -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.335 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -69.65 -14.68 62.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.489 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.921 0.391 . . . . 0.0 110.305 176.77 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.434 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.457 -0.099 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -62.03 -31.83 72.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.975 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.589 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.6 mptt -53.53 -47.48 69.92 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.476 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.02 -50.11 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.642 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -68.66 -43.63 75.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.495 176.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 98' ' ' LYS . 99.5 t -59.7 -38.21 74.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.31 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.431 ' O ' HD23 ' B' ' 108' ' ' LEU . 3.7 m-85 -74.63 -49.84 19.99 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.606 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' B' ' 108' ' ' LEU . 3.3 mm? -62.78 -25.27 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.58 -14.31 62.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.288 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.4 p -103.88 -3.44 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.118 0.485 . . . . 0.0 109.887 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.67 ' HB3' HG21 ' B' ' 119' ' ' ILE . 3.9 mm? -101.98 -17.08 16.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.957 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -72.06 160.86 31.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.481 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -53.66 113.79 1.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.332 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.11 22.6 7.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.466 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.74 -155.98 30.01 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.082 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.93 -44.5 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -119.47 34.96 5.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.3 p90 -73.82 151.2 40.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.942 -172.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.513 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -119.31 137.6 53.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.27 -177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.78 -27.73 66.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.582 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -81.95 -32.24 30.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.268 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' B' ' 108' ' ' LEU . 28.1 mm -70.62 -37.7 70.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 110.698 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 18.7 tp10 -60.68 -45.89 92.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.135 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.529 ' CD1' HD11 ' B' ' 60' ' ' LEU . 78.4 t80 -50.48 -56.7 10.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.25 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.2 -37.81 88.81 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.966 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 79.4 mm-40 -65.84 -53.6 37.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.04 -37.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.337 0.589 . . . . 0.0 110.548 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -67.11 -63.34 1.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.848 -178.088 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.464 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.4 pp -61.69 -27.23 68.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.836 -172.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.1 t70 -53.25 -46.95 69.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.286 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' B' ' 53' ' ' ILE . 55.0 mmtt -84.23 -22.54 30.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.831 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.485 ' CD1' HD22 ' B' ' 126' ' ' LEU . 92.0 mt -71.33 -30.58 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.311 0.577 . . . . 0.0 110.358 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -77.66 -24.8 49.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.217 0.532 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.19 -0.913 . . . . 0.0 112.323 -175.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 12' ' ' LEU . 9.4 pt-20 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.829 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 37.9 m-80 -58.33 -39.41 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.429 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -54.16 -42.61 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.399 0.437 . . . . 0.0 110.807 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -74.83 -39.87 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.7 mp -56.44 -42.1 77.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.997 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.829 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 62.2 mt -57.66 -53.78 54.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.248 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.8 m-20 -65.41 -34.99 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -59.61 -57.96 10.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.434 ' CG2' HD11 ' A' ' 25' ' ' LEU . 76.2 mt -58.9 -36.56 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.514 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 31.6 ttt180 -61.03 -42.64 98.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.02 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 60.2 mt-10 -62.0 -36.97 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.23 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.8 mp -55.0 -51.46 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 -25.5 73.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.237 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.42 -36.73 74.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.201 0.5 . . . . 0.0 111.104 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.1 m -95.5 -18.73 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.157 0.503 . . . . 0.0 110.723 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.89 5.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.201 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 22' ' ' VAL . 99.2 mt -88.45 -11.89 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.184 0.516 . . . . 0.0 110.049 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' B' ' 74' ' ' ALA . 6.9 mt -99.04 -10.97 21.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.814 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.42 121.45 7.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.871 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 53.7 p90 -130.88 170.95 13.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.216 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -150.2 117.17 5.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.0 mt -99.2 133.43 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.124 0.488 . . . . 0.0 111.46 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -93.38 171.72 8.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.267 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -54.62 -40.72 69.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.867 0.365 . . . . 0.0 111.455 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.35 -38.58 74.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.149 0.499 . . . . 0.0 110.388 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 mm-40 -71.03 -25.03 62.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.79 -31.95 31.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.67 -33.73 75.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.137 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.12 -21.53 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.223 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 53.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.2 0.524 . . . . 0.0 110.956 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.409 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -108.68 170.22 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 44.8 mt -82.83 176.61 9.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.146 0.498 . . . . 0.0 111.625 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.06 -52.2 5.57 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.431 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -80.92 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.542 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -66.01 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -175.532 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.61 84.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -73.11 -47.56 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.111 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -55.97 -36.66 68.08 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.41 -49.25 72.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.157 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.93 -41.14 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.55 -33.36 71.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 74.9 mm-40 -85.69 -23.56 27.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -103.68 22.22 14.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.195 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -147.27 102.21 3.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.922 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -24.95 53.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.445 ' HG3' HG21 ' B' ' 125' ' ' ILE . 7.9 pt-20 -79.48 -20.16 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.374 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.48 -33.44 28.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -69.9 -41.77 74.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.07 -25.95 68.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.756 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 118' ' ' ALA . 52.4 mt -67.04 -28.77 68.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.69 -4.63 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.444 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -84.2 -12.82 54.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.0 110.077 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -89.37 126.95 35.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.832 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.25 -26.07 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.445 HG22 ' ND2' ' B' ' 116' ' ' ASN . 61.2 m -76.63 -35.69 57.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.703 0.764 . . . . 0.0 110.304 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 59.3 t -77.4 -53.91 13.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.484 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.555 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 35.4 ttpt -59.84 -32.59 70.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.581 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 62.9 t80 -59.96 -54.52 45.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 175.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -66.89 -29.21 69.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.886 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 76' ' ' VAL . 90.1 mt -71.78 -45.05 62.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.79 0.329 . . . . 0.0 110.661 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.654 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -66.35 -18.91 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.647 0.261 . . . . 0.0 111.482 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.7 mmmt -63.19 -37.53 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.474 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.6 m -79.98 -27.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.1 t80 -56.73 -40.87 76.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.003 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -61.29 -28.11 68.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.648 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -75.66 -41.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.994 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.544 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -71.94 -13.98 61.79 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.761 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.775 176.658 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.53 -34.03 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.525 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.532 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.2 mptt -58.16 -44.73 88.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.506 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.24 -49.3 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.54 -34.94 76.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.83 -46.23 79.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.429 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 98' ' ' LYS . 85.6 t -59.97 -37.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.496 177.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -53.48 -39.94 64.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.201 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.535 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 2.7 m-85 -66.93 -48.75 67.64 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.78 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.585 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.1 mm? -61.84 -34.89 76.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.898 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -64.42 -31.38 72.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.674 0.273 . . . . 0.0 111.314 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -83.65 -8.99 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.636 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 81.6 mt -105.22 1.3 28.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.661 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 16.1 mmt180 -77.35 173.75 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -58.39 124.02 18.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.01 29.09 23.99 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.495 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.69 -153.09 28.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.081 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 pt -115.62 -48.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.567 0.222 . . . . 0.0 111.394 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.61 39.7 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.05 150.95 33.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.051 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.58 ' HB2' HG12 ' B' ' 119' ' ' ILE . 65.3 m-20 -117.69 136.44 53.34 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.706 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 10.8 pt-20 -57.05 -28.34 62.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.061 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -82.45 -22.56 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.496 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.58 HG12 ' HB2' ' B' ' 116' ' ' ASN . 22.9 mm -71.78 -41.57 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 9.5 tp10 -63.63 -44.32 94.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 78.2 mm-40 -59.36 -43.41 92.83 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.359 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -53.42 -53.79 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.011 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.04 -47.82 83.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.926 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 84.0 mm-40 -64.44 -50.48 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.895 -175.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' B' ' 59' ' ' GLU . 86.5 mt -62.51 -42.44 95.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.201 0.524 . . . . 0.0 110.553 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.431 HD23 ' HG ' ' A' ' 12' ' ' LEU . 52.9 tp -69.18 -51.56 36.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.707 -177.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.92 -27.61 68.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 110.05 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.68 -44.86 96.01 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -82.33 -28.27 31.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.65 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.29 -38.54 87.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.387 . . . . 0.0 110.573 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -82.2 -14.41 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.699 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.705 -177.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.791 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 4.9 p30 -53.82 -41.47 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.393 0.433 . . . . 0.0 111.305 175.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -57.9 -39.6 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.786 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.91 -35.71 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.533 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 92.9 mt -57.97 -45.3 86.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.089 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -60.69 -52.06 66.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.474 -173.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.95 -23.29 63.16 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.178 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' B' ' 126' ' ' LEU . 49.2 t80 -67.02 -49.57 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.65 -34.52 62.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.746 0.784 . . . . 0.0 109.782 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.6 ttt180 -63.54 -47.76 80.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.55 -37.31 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.57 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 25' ' ' LEU . 4.7 tp -51.65 -56.59 12.78 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.091 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.61 -15.75 79.22 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -37.89 66.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.058 0.429 . . . . 0.0 110.978 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 24' ' ' LEU . 15.6 m -98.71 -16.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 37.07 3.99 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.81 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' B' ' 54' ' ' TYR . 94.8 mt -99.24 -4.48 31.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.551 0.691 . . . . 0.0 109.447 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' B' ' 73' ' ' LEU . 40.7 tp -115.49 -2.43 12.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.664 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.03 138.81 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.858 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.18 173.55 11.84 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.925 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.93 128.35 9.95 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.74 128.22 54.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -83.42 171.42 13.48 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.22 -39.65 72.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.222 0.465 . . . . 0.0 110.983 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -68.72 -41.55 78.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.45 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.85 -32.8 34.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.251 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.35 -31.68 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.298 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -82.0 -21.15 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.817 0.341 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' B' ' 71' ' ' PHE . 67.0 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.456 . . . . 0.0 111.12 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.463 HG22 ' NE2' ' B' ' 55' ' ' GLN . 0.9 OUTLIER -136.55 163.03 31.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.44 177.532 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 56.7 mt -79.86 171.93 14.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.252 0.548 . . . . 0.0 110.609 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.92 -29.05 13.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.351 -173.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -96.01 125.36 40.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.815 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.935 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -7.3 43.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.54 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.51 -40.95 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.112 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -60.18 -37.64 80.83 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.309 -176.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -37.61 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.26 -40.25 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.948 0.404 . . . . 0.0 110.326 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 24' ' ' LEU . 56.7 t80 -62.4 -27.28 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.9 mm-40 -93.33 -33.88 13.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.643 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -80.2 -32.55 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.907 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -102.25 89.47 3.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.613 0.72 . . . . 0.0 110.367 -175.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.6 59.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.57 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.551 ' HG3' HG21 ' B' ' 125' ' ' ILE . 10.9 pt-20 -77.91 -18.87 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.52 0.676 . . . . 0.0 109.562 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.61 -33.18 36.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.655 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -72.64 -38.3 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.029 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 12.8 pt-20 -59.17 -30.26 68.05 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -71.73 -38.09 70.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.118 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.33 13.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.616 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.4 -7.11 26.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.097 0.475 . . . . 0.0 109.738 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.411 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 92.0 m-85 -96.14 126.29 41.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.39 -21.74 63.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.473 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -67.49 -47.29 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 109.091 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.484 HG13 HD13 ' B' ' 119' ' ' ILE . 97.2 t -60.16 -59.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.739 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -56.75 -33.85 66.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.08 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 37' ' ' LEU . 34.3 t80 -62.64 -51.43 67.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 111.096 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -65.97 -36.31 82.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.623 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.4 mt -70.43 -37.66 74.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.36 -29.32 69.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -63.94 -32.17 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.623 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -80.95 -32.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.7 t80 -58.6 -40.3 82.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.651 178.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 78' ' ' ARG . 20.5 mtm180 -61.42 -31.63 71.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.332 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -70.18 -49.11 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.416 HD22 ' O ' ' B' ' 76' ' ' VAL . 1.5 mm? -57.25 -26.6 61.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.671 0.272 . . . . 0.0 111.552 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.445 -0.717 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.064 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -70.2 -24.42 63.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.609 ' O ' HG23 ' B' ' 102' ' ' VAL . 0.5 OUTLIER -57.81 -45.74 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.592 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -53.67 -59.33 4.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.112 0.482 . . . . 0.0 110.572 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.57 -32.99 73.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.069 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.479 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.02 -46.7 80.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.604 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.4 t -61.76 -34.22 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -57.97 -26.13 61.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.144 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -84.2 -39.99 18.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.576 0.226 . . . . 0.0 110.473 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.9 mm? -65.42 -31.75 73.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.388 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -58.78 -32.64 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -86.08 -1.59 57.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.72 0.295 . . . . 0.0 110.825 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' B' ' 119' ' ' ILE . 81.1 mt -113.63 0.44 14.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.459 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 21.4 mmm-85 -91.39 162.95 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.53 123.18 7.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.765 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.46 57.23 1.67 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.684 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.06 -168.85 11.39 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.57 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.53 -44.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -130.38 38.92 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -75.93 137.5 40.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.442 0.639 . . . . 0.0 111.066 -173.488 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.462 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.7 m120 -114.95 142.69 46.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.19 -0.913 . . . . 0.0 108.9 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.5 -27.8 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.777 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -71.53 -27.49 63.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.777 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' B' ' 108' ' ' LEU . 27.0 mm -75.79 -39.83 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 109.842 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.74 -43.72 79.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.968 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.43 -44.6 80.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.907 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 79.1 t80 -52.79 -56.76 13.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.235 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.8 m -55.95 -49.72 72.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -65.41 -56.31 13.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.733 -174.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 59' ' ' GLU . 84.6 mt -59.1 -41.17 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 110.814 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 15' ' ' PHE . 38.1 tp -70.56 -51.56 27.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.327 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.0 pp -65.64 -27.39 68.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.98 -48.46 78.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.099 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -80.09 -32.22 39.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.455 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.418 ' CD1' ' HG ' ' B' ' 126' ' ' LEU . 67.8 mt -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.24 -6.83 52.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 111.12 -179.359 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.628 ' O ' HD13 ' A' ' 12' ' ' LEU . 8.6 pt-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 22.2 m-80 -60.51 -39.41 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.252 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.88 -43.69 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.84 -39.98 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.207 0.527 . . . . 0.0 109.97 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.8 mp -58.68 -42.85 89.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.101 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -59.01 -52.17 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.815 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.17 -28.75 66.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.233 0.539 . . . . 0.0 110.256 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 51.8 t80 -62.86 -52.78 61.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.034 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.5 -33.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.049 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 30.0 ttt180 -60.58 -49.98 75.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.752 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.1 mt-10 -70.17 -36.47 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.439 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.3 tp -51.86 -52.92 46.1 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.145 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -76.0 -19.91 78.21 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.914 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.18 -34.6 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' GLU . 30.9 m -92.68 -19.07 6.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.22 27.64 6.82 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.662 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD13 ' CE2' ' B' ' 54' ' ' TYR . 82.1 mt -98.65 -13.7 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.529 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -97.78 -22.75 16.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.11 150.94 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.822 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -148.99 177.12 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.069 0.461 . . . . 0.0 111.501 -168.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.86 132.01 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' B' ' 71' ' ' PHE . 93.3 mt -116.82 132.54 56.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.983 0.42 . . . . 0.0 111.604 -176.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -81.25 169.43 17.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 174.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -53.51 -44.33 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.77 -44.01 94.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.628 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 mt-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -76.84 -28.86 55.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.127 0.489 . . . . 0.0 110.414 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.07 -32.17 66.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.66 -25.13 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.794 0.331 . . . . 0.0 111.576 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.65 0.262 . . . . 0.0 111.562 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.417 ' HB2' HD11 ' A' ' 24' ' ' LEU . 32.4 mmtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.518 0.675 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.07 163.57 33.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.973 174.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -77.64 170.03 17.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.021 0.439 . . . . 0.0 110.48 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -98.43 -31.34 12.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.264 -172.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -95.69 124.54 39.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.009 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.2 -32.69 73.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.28 62.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.98 -40.37 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.74 -35.56 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.193 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.92 -46.94 74.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.6 mp -67.26 -40.26 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.239 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.535 ' CE2' HD13 ' A' ' 24' ' ' LEU . 59.3 t80 -58.81 -38.51 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.409 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.06 -31.26 39.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.322 0.582 . . . . 0.0 110.979 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.31 29.78 3.44 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.549 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -147.31 82.94 1.55 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.214 0.53 . . . . 0.0 110.82 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.76 -27.52 65.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.464 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.3 pt-20 -70.06 -23.63 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.316 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.55 -45.51 12.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.573 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -59.04 -28.43 66.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.901 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.25 -23.34 60.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.404 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.436 HD11 HD12 ' B' ' 125' ' ' ILE . 78.6 mt -77.32 -27.27 52.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 109.65 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.73 5.61 17.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.768 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -91.32 -12.55 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.115 0.483 . . . . 0.0 109.733 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -87.29 124.81 33.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.606 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -73.36 -21.89 60.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.876 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 40.5 m -69.17 -46.3 67.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.646 0.736 . . . . 0.0 109.052 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.514 HG13 HD13 ' B' ' 119' ' ' ILE . 97.5 t -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.101 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -54.98 -34.61 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.794 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 29' ' ' LEU . 56.3 t80 -60.76 -50.44 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -69.38 -37.29 77.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.867 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.658 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.7 mt -67.46 -34.5 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.731 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.91 -30.54 71.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.857 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.417 ' O ' HG13 ' B' ' 79' ' ' ILE . 50.0 mtpt -66.43 -27.47 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.713 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.6 m -83.2 -33.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.6 t80 -59.99 -41.23 91.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.108 0.48 . . . . 0.0 109.935 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 96.9 mtt180 -57.89 -36.9 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.288 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 79.1 mt -64.06 -54.82 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.104 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.52 -30.21 62.78 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.776 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.111 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.424 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.645 0.259 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -61.01 -34.27 74.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.986 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.484 ' O ' HG23 ' B' ' 102' ' ' VAL . 14.2 mptt -62.22 -36.38 81.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.747 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.89 -57.59 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 109.784 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.38 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.937 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.538 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.13 -52.31 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 98' ' ' LYS . 75.2 t -61.28 -32.27 52.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.978 0.418 . . . . 0.0 110.783 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.1 -30.63 66.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.0 -42.18 27.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.804 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -61.6 -34.71 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.816 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ASN . . . . . 0.43 ' ND2' HG12 ' B' ' 102' ' ' VAL . 19.4 m-80 -61.37 -32.57 72.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.407 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -81.87 -6.25 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.632 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 89.6 mt -110.0 -2.82 16.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.801 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 58.7 mtp180 -109.79 -174.13 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.509 ' CE2' ' HG2' ' B' ' 120' ' ' GLU . 21.2 m-85 -51.76 116.72 2.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.76 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.28 32.57 7.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.655 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.78 -160.02 24.72 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.03 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 pt -115.45 -38.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 -176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -124.93 40.73 3.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.632 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -81.88 141.05 33.74 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.063 -170.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.501 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.3 m120 -116.84 147.77 41.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.12 -28.88 70.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.768 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.34 56.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' B' ' 108' ' ' LEU . 23.6 mm -69.58 -43.05 80.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.509 ' HG2' ' CE2' ' B' ' 110' ' ' TYR . 17.2 tp10 -63.64 -46.58 85.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.775 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -62.29 -37.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.538 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -52.15 64.77 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 60.7 m -59.05 -49.35 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.456 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 85.2 mm-40 -62.36 -52.89 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.551 -175.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' B' ' 59' ' ' GLU . 92.7 mt -65.11 -41.59 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.921 0.391 . . . . 0.0 111.328 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.4 tp -66.77 -51.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' B' ' 130' ' ' LEU . 2.0 pp -66.84 -26.62 67.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 25.4 t70 -54.54 -50.18 68.51 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.326 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.529 ' HB2' HG12 ' B' ' 53' ' ' ILE . 47.3 mmtt -79.29 -34.67 42.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.096 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' B' ' 127' ' ' LEU . 72.2 mt -64.51 -25.8 68.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -100.19 -11.38 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.765 0.317 . . . . 0.0 110.99 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.33 0.586 . . . . 0.0 111.09 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.4 m-80 -60.94 -29.72 69.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.984 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -65.72 -28.27 68.93 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.777 0.322 . . . . 0.0 110.14 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -76.53 -35.44 58.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.812 HD13 HD12 ' B' ' 126' ' ' LEU . 4.5 mm? -56.65 -48.66 77.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 27.9 mt -59.03 -54.81 42.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.385 -174.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 20.0 m-20 -66.42 -30.4 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.096 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.462 ' O ' HD13 ' A' ' 19' ' ' LEU . 77.9 t80 -63.65 -57.58 9.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 110.011 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.23 -35.69 59.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.506 0.669 . . . . 0.0 110.223 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.5 ttt180 -58.96 -43.71 91.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.924 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.5 mt-10 -71.84 -34.5 69.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.181 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 8.6 mp -54.38 -53.71 50.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -67.09 -33.61 83.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.928 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.37 -35.95 82.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.763 0.316 . . . . 0.0 111.504 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 18' ' ' GLU . 31.3 m -96.46 -5.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 0.0 110.551 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 26' ' ' GLU . . . 88.63 31.17 13.54 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.536 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' B' ' 54' ' ' TYR . 81.4 mt -100.48 0.33 39.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.29 0.566 . . . . 0.0 110.356 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 38.3 tp -113.89 -10.29 12.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.238 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 47.5 mt-10 -61.31 131.15 49.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.148 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.52 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -152.14 103.04 2.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -85.17 145.02 27.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.217 0.532 . . . . 0.0 111.782 -172.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -84.58 169.27 14.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.163 171.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.25 -39.62 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.059 0.39 . . . . 0.0 111.114 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -65.83 -40.82 92.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -67.39 -27.25 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.404 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -81.1 -32.54 33.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.141 0.496 . . . . 0.0 110.249 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.16 -35.32 80.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.14 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.95 -22.84 12.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 55.2 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.928 0.394 . . . . 0.0 111.184 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' B' ' 43' ' ' LYS . 2.8 mppt? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -108.82 174.59 5.8 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.649 174.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 37.7 mt -84.61 175.43 9.25 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.524 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -85.23 -48.6 8.95 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.347 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 24.6 m -85.48 125.77 33.31 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.65 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.85 -32.12 72.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -22.58 66.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.686 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.1 -46.44 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.106 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 34.8 t70 -53.48 -39.09 64.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.348 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.25 -53.34 17.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.424 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.526 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.3 mp -67.99 -40.96 84.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' A' ' 24' ' ' LEU . 85.9 t80 -60.73 -36.44 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.892 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.9 mm-40 -83.26 -20.47 34.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 0.0 110.336 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -113.7 31.88 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.2 m -139.74 85.64 2.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.174 0.511 . . . . 0.0 110.906 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.73 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.646 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.402 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.5 pm0 -80.89 -23.05 39.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 tp -84.48 -47.85 10.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.28 -28.89 60.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.164 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.37 -20.43 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.86 -37.47 55.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.213 0.53 . . . . 0.0 109.633 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.77 -13.97 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.147 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.17 -15.1 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.654 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.455 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.2 m-85 -92.93 131.46 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -74.81 -16.43 60.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -68.18 -33.22 74.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.94 0.876 . . . . 0.0 109.305 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' B' ' 66' ' ' TYR . 97.4 t -74.31 -55.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.163 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -47.78 -46.92 30.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.878 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.473 ' CD2' HD13 ' A' ' 37' ' ' LEU . 60.8 t80 -55.44 -51.66 66.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.551 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -70.65 -32.89 70.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.398 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.7 mt -73.54 -35.83 65.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.008 0.432 . . . . 0.0 110.59 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.88 -33.5 75.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.857 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.5 mtpt -62.68 -32.12 73.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.1 m -81.34 -32.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.4 t80 -62.05 -40.43 95.74 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 41.3 mtm180 -59.72 -25.7 65.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.227 0.537 . . . . 0.0 110.805 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.5 -53.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.049 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.4 -26.24 66.53 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.368 178.112 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.451 HD12 HD23 ' B' ' 100' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -61.7 -39.28 90.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.512 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.8 mptp? -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.761 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.88 -57.62 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.95 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 96' ' ' LEU . 4.1 mm? -59.34 -40.57 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.147 -176.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.02 -46.2 88.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 94.6 t -62.19 -35.06 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.687 0.28 . . . . 0.0 110.827 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -56.15 -30.43 62.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.538 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.446 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.2 m-85 -74.6 -47.02 34.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.64 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.28 -29.39 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.34 -32.44 73.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 73.2 p -83.35 -9.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.748 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.475 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 80.5 mt -102.62 0.47 33.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -85.77 165.9 16.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.895 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -54.66 112.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.558 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.16 25.19 7.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.89 -152.99 25.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.964 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.2 pt -107.99 -49.3 7.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.759 0.314 . . . . 0.0 111.462 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -121.57 46.22 2.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.475 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -82.18 142.75 31.92 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.913 -171.06 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.1 m120 -118.06 135.05 54.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.582 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 0.3 OUTLIER -57.65 -30.74 65.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.344 178.637 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' B' ' 122' ' ' PHE . . . -70.25 -27.19 64.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 116' ' ' ASN . 32.2 mm -79.86 -41.84 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 109.935 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.3 tp10 -59.87 -51.0 71.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 44.1 mm-40 -65.21 -35.87 82.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.407 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' B' ' 118' ' ' ALA . 57.8 t80 -54.46 -52.62 61.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.09 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' CYS . . . . . 0.735 ' HA ' HD11 ' A' ' 12' ' ' LEU . 65.2 m -56.81 -45.6 82.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.765 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 65.6 mm-40 -67.87 -53.75 24.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.59 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' B' ' 59' ' ' GLU . 77.1 mt -58.19 -39.58 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.299 0.571 . . . . 0.0 110.841 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tm? -75.79 -59.98 2.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.704 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 12' ' ' LEU . 1.7 pp -59.11 -30.59 68.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 -175.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.5 t70 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.36 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.484 ' HB2' HG12 ' B' ' 53' ' ' ILE . 59.8 mmtt -81.83 -29.82 32.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 126' ' ' LEU . 30.2 mt -71.15 -23.9 62.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.259 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -94.19 -10.11 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.675 174.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.098 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.675 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.897 0.379 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.726 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -65.41 -37.34 86.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.024 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -62.6 -37.13 85.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.215 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' HB3' HD13 ' B' ' 130' ' ' LEU . 20.9 mt-30 -64.99 -44.09 90.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 174.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 60.2 mt -55.86 -43.55 77.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.849 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 83.3 mt -62.26 -50.68 70.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.261 -173.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 18.9 m-20 -68.2 -24.58 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 110.831 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.0 t80 -67.06 -56.17 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.696 175.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' LEU . 65.5 mt -54.38 -40.17 47.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.704 0.764 . . . . 0.0 110.212 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 63.2 ttt180 -58.46 -47.95 82.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.707 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 71.6 mt-10 -68.14 -33.75 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.326 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD23 HD21 ' B' ' 45' ' ' LEU . 89.9 mt -58.99 -51.46 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.258 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 -27.4 73.42 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.203 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 17.2 m -102.27 -11.37 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 23.5 18.43 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.537 -0.84 . . . . 0.0 113.39 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.42 -25.31 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.754 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 3.1 tm? -85.95 -24.12 26.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.784 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.66 139.28 16.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.44 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -142.92 176.25 9.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -153.19 121.01 6.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 75.5 mt -106.71 159.78 15.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.553 -178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.668 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -113.71 174.64 5.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -54.8 -33.98 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -69.32 -54.23 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.098 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.668 ' HG2' ' H ' ' A' ' 30' ' ' SER . 1.9 pm0 -70.62 -18.91 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.41 -28.59 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.441 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.85 -33.93 74.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.172 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.3 -21.81 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.948 0.404 . . . . 0.0 111.497 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 71' ' ' PHE . 59.1 mt . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.924 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 22' ' ' VAL . 43.6 mmtt . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.61 0.719 . . . . 0.0 111.62 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.47 161.34 36.61 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.398 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.718 HD21 HD23 ' A' ' 19' ' ' LEU . 21.8 mt -73.45 173.84 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.515 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.416 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.1 mmmm -90.69 -49.22 6.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 -175.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.6 m -91.24 129.82 37.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.236 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -68.2 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.763 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 -8.75 35.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.426 . . . . 0.0 111.033 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.21 -42.34 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.3 t70 -57.76 -36.24 71.84 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.023 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -53.42 -46.41 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.413 ' H ' HD12 ' B' ' 53' ' ' ILE . 4.5 mp -70.21 -42.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.01 -31.51 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.009 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 66.7 mm-40 -89.14 -18.52 27.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.983 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -112.16 31.58 6.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -176.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.2 m -146.6 85.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.278 0.561 . . . . 0.0 111.198 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.58 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -73.29 -19.48 61.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.193 0.521 . . . . 0.0 110.37 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -84.2 -44.39 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.71 -29.52 62.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.086 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.01 -21.47 56.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.749 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 mt -75.98 -29.15 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.165 0.507 . . . . 0.0 109.955 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 2.39 23.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.963 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -85.05 -18.04 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.426 . . . . 0.0 110.095 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.42 ' HB2' HG23 ' B' ' 69' ' ' VAL . 84.6 m-85 -92.15 129.95 37.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.44 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.416 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 92.4 m-20 -73.05 -23.24 60.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.599 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -71.77 -30.8 65.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.847 0.832 . . . . 0.0 109.661 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.47 HG13 HD13 ' B' ' 119' ' ' ILE . 60.7 t -74.54 -59.43 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.267 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -54.32 -36.08 63.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.668 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CD2' HD13 ' A' ' 37' ' ' LEU . 48.5 t80 -55.59 -52.09 64.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.112 0.482 . . . . 0.0 111.05 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.402 ' HB3' ' CD1' ' B' ' 108' ' ' LEU . 33.5 m80 -72.76 -29.38 63.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.244 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.63 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.4 mt -72.93 -36.82 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -67.84 -31.27 70.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.936 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 14.5 mmmm -56.05 -34.73 66.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 176.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.63 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.5 m -84.01 -33.33 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.231 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.3 t80 -60.27 -40.75 91.5 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 81.9 mtt180 -60.6 -29.97 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.257 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -73.04 -48.65 43.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.624 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.596 HD22 ' O ' ' B' ' 76' ' ' VAL . 0.7 OUTLIER -62.48 -15.15 48.39 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.049 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.118 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -62.92 -32.5 73.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.69 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.585 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.7 mptm? -55.86 -44.15 77.8 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.9 -53.93 52.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.159 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 103' ' ' ASN . 4.3 mm? -60.44 -37.98 82.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.873 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.11 -46.21 85.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.729 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.26 -32.81 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.547 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 100' ' ' LEU . 16.8 m-80 -55.75 -29.41 59.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.2 m-85 -81.2 -44.44 17.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.452 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.17 -33.07 71.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.756 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.42 -30.14 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.4 ' HB ' HG12 ' B' ' 113' ' ' ILE . 62.8 p -94.93 -3.63 48.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.546 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 89.1 mt -104.81 -17.87 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.367 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -83.02 172.45 12.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.858 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.19 134.96 56.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.13 35.27 24.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.32 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.42 -159.54 18.59 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.4 HG12 ' HB ' ' B' ' 107' ' ' THR . 19.3 pt -100.4 -47.0 11.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 111.641 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -127.05 47.09 2.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.6 p90 -78.93 151.34 31.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.57 -169.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.9 m120 -119.87 130.89 55.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 8.5 pt-20 -62.94 -23.28 67.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.753 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.455 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.34 -30.59 64.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.784 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' B' ' 116' ' ' ASN . 25.3 mm -71.15 -41.12 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 10.6 tp10 -58.13 -50.86 72.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.868 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 20.3 mm-40 -59.98 -43.23 95.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.438 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.35 -54.51 35.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.399 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.28 -50.09 74.01 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 76.7 mm-40 -64.34 -54.27 35.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.757 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -59.03 -42.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.699 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 15' ' ' PHE . 45.3 tp -71.47 -53.96 12.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.771 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' A' ' 12' ' ' LEU . 2.6 pp -65.0 -27.87 69.12 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.376 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.56 -44.77 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.381 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -80.94 -31.45 34.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.008 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 11' ' ' GLN . 74.2 mt -67.34 -26.55 66.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.447 177.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -90.41 -16.42 29.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.295 0.569 . . . . 0.0 111.124 -179.205 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.0 pt-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.486 0.184 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.807 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 20.9 m-80 -61.04 -35.95 78.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -60.0 -51.27 70.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.698 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HB3' HD13 ' B' ' 130' ' ' LEU . 32.8 mt-30 -58.8 -43.97 90.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 176.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.3 mp -55.06 -44.33 74.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.249 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 79.9 mt -59.48 -53.73 54.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.576 -177.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -66.14 -28.89 69.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.6 t80 -64.9 -54.58 28.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.863 175.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.2 mt -59.35 -36.33 63.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.246 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.5 ttt180 -62.88 -46.31 88.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.668 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 51.0 mt-10 -64.77 -35.15 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.285 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 86.1 mt -53.25 -51.07 63.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.982 0.42 . . . . 0.0 110.604 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.72 -25.74 74.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.197 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.25 -30.25 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.892 0.346 . . . . 0.0 111.698 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.789 HG23 HD13 ' A' ' 24' ' ' LEU . 3.2 m -102.08 -22.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.807 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.6 38.2 1.34 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.814 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.789 HD13 HG23 ' A' ' 22' ' ' VAL . 5.1 mp -106.05 -30.99 8.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.052 -0.574 . . . . 0.0 109.976 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' B' ' 74' ' ' ALA . 20.5 tp -94.3 -1.4 53.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.6 136.31 57.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.157 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.517 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 43.9 p90 -142.88 176.54 8.99 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.406 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -161.41 108.63 1.44 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -82.83 134.83 35.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.793 -171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -91.69 173.07 8.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -54.58 -40.46 68.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.668 0.271 . . . . 0.0 111.473 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.337 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.4 mm-40 -66.26 -28.72 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.466 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -80.29 -28.01 38.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.23 -32.01 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.28 -24.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 0.0 111.447 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.9 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.406 -176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 24' ' ' LEU . 1.8 mptt . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.419 HG22 ' NE2' ' B' ' 55' ' ' GLN . 2.4 p -108.0 162.2 14.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.83 0.348 . . . . 0.0 111.432 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 19' ' ' LEU . 44.7 mt -79.35 173.38 12.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.743 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -96.24 -32.66 12.32 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.129 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -91.66 125.47 36.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.712 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -61.14 -40.32 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.423 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.58 74.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.02 0.438 . . . . 0.0 110.762 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.414 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.1 m-85 -80.34 -44.68 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.656 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 38.5 t70 -58.71 -38.67 78.82 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.404 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.97 -53.11 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.824 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.3 mt -65.67 -42.03 91.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.409 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 75.3 t80 -58.56 -33.56 70.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.396 . . . . 0.0 110.95 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 60.6 mm-40 -88.93 -32.61 17.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -83.22 -18.16 40.22 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.5 m -114.19 93.83 4.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.521 0.677 . . . . 0.0 110.431 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.9 58.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.039 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.432 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.3 pm0 -77.29 -20.08 55.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 109.741 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.32 -35.75 40.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.41 -40.87 89.85 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.63 -23.45 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.924 0.393 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.411 ' O ' HG21 ' B' ' 69' ' ' VAL . 78.9 mt -71.11 -30.97 67.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.695 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.6 9.35 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -89.22 -18.45 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.007 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.545 ' O ' HG22 ' B' ' 69' ' ' VAL . 67.6 m-85 -89.57 118.85 29.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 109.907 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.93 -35.5 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.745 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.7 m -60.41 -41.64 94.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.758 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.9 m -82.42 -38.89 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.146 -174.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.517 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 ttpt -70.07 -30.14 67.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.091 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.401 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 38.1 t80 -58.38 -48.09 81.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -70.11 -34.66 73.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.178 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.0 mt -69.14 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.72 -28.83 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.763 0.316 . . . . 0.0 110.952 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.3 mtpt -64.73 -33.75 76.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.4 m -79.27 -32.52 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.9 t80 -60.45 -36.19 77.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.063 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -58.86 -41.86 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.391 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.83 -49.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.128 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.2 mm? -65.73 -12.5 54.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.01 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -64.35 -28.52 69.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.569 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.3 mptm? -57.89 -31.97 67.26 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -58.83 3.1 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.404 HD22 ' N ' ' B' ' 100' ' ' LEU . 3.4 mm? -58.82 -36.27 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.131 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -61.48 -45.62 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 98' ' ' LYS . 93.6 t -61.68 -33.1 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -62.32 -23.75 66.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.431 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.482 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.0 m-85 -82.23 -40.62 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 110.386 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -62.84 -31.07 72.01 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.263 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.24 -40.1 92.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.68 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.4 p -78.29 -9.87 59.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 82.5 mt -102.86 -14.99 16.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.459 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 30.5 mtp180 -88.55 172.82 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.258 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -55.33 133.14 49.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.179 0.514 . . . . 0.0 111.604 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.38 10.74 67.7 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.438 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.52 -174.28 45.94 Favored Glycine 0 N--CA 1.435 -1.406 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.498 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 114' ' ' HIS . 26.3 pt -88.18 -46.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -174.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.403 ' N ' HG13 ' B' ' 113' ' ' ILE . 27.0 m170 -126.43 46.83 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.1 p90 -77.14 150.21 35.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.273 -171.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -123.85 132.5 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.693 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.68 -29.47 70.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 -171.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.768 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -71.87 -34.04 68.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.273 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 108' ' ' LEU . 46.1 mm -68.6 -39.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.049 0.452 . . . . 0.0 109.792 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.39 -52.77 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.4 -38.93 93.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.648 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -53.71 -53.05 57.55 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.762 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 44.4 t -56.7 -47.61 79.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.726 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 86.5 mm-40 -65.65 -52.9 48.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.895 -174.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.9 mt -62.92 -42.49 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.08 0.467 . . . . 0.0 110.887 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 130' ' ' LEU . 43.0 tp -69.49 -54.39 14.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.677 -175.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.77 -27.73 69.5 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.964 0.412 . . . . 0.0 109.957 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.9 t70 -56.54 -42.43 78.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.473 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.44 ' CB ' HG12 ' B' ' 53' ' ' ILE . 62.0 mmtt -90.66 -31.21 16.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.571 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' B' ' 126' ' ' LEU . 57.6 mt -64.52 -29.92 70.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.251 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -90.76 -12.83 35.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.801 0.334 . . . . 0.0 110.732 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.577 -177.461 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.266 0.079 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.739 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.2 p30 -58.06 -36.51 72.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.173 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.6 m -60.66 -33.78 73.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.253 0.549 . . . . 0.0 110.514 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.557 ' HB3' HD13 ' B' ' 130' ' ' LEU . 20.0 mm-40 -78.92 -40.3 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.045 176.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.0 mp -52.7 -51.54 59.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.302 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 46.4 mt -55.89 -53.48 56.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.373 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.93 -27.15 62.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.681 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.81 -58.65 5.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.885 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.72 -37.14 38.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.211 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.6 ttt180 -58.91 -42.42 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.261 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -68.47 -36.94 79.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.461 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.03 -51.36 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.49 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.22 73.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.01 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.26 -40.72 81.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.764 0.282 . . . . 0.0 111.285 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' HD3' ' B' ' 46' ' ' LYS . 8.8 m -95.95 -16.52 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.002 0.429 . . . . 0.0 111.187 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.55 37.22 4.06 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.968 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' CE2' ' B' ' 54' ' ' TYR . 86.9 mt -97.83 -13.03 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.492 . . . . 0.0 110.207 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.1 tp -102.41 -9.46 20.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.18 136.19 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.908 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -140.93 176.52 8.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.95 127.08 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.222 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.19 146.43 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.087 0.47 . . . . 0.0 111.649 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -87.59 169.69 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.548 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -52.76 -45.38 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.659 0.266 . . . . 0.0 111.332 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.48 -44.14 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.473 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 mt-10 -64.12 -33.74 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.579 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.1 -31.48 61.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 110.236 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.56 -29.76 63.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.358 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.11 -26.82 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.7 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -107.28 168.71 9.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.79 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 38.6 mt -76.87 -177.64 4.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.061 0.457 . . . . 0.0 111.755 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.5 mmmm -86.33 -45.38 11.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 51.0 m -97.21 131.76 43.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.993 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -68.9 -32.85 72.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.845 0.355 . . . . 0.0 110.45 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.01 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.24 -44.45 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.71 -35.18 65.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.8 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.12 -51.01 57.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.804 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.542 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -66.8 -40.88 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.441 ' CE2' HD13 ' A' ' 24' ' ' LEU . 79.9 t80 -61.81 -29.46 70.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.3 mm-40 -91.97 -29.8 16.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -96.17 -9.89 29.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.3 m -118.73 85.87 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.225 0.535 . . . . 0.0 110.379 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.772 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' B' ' 59' ' ' GLU . 6.1 pt-20 -69.26 -25.04 64.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.892 176.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -84.31 -35.79 23.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.234 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.16 -35.61 69.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.792 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.61 -27.35 68.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.413 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.42 HD11 HD12 ' B' ' 125' ' ' ILE . 57.8 mt -72.13 -31.01 65.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.994 178.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.85 -11.62 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.137 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.96 -33.85 75.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.074 0.464 . . . . 0.0 110.095 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -70.41 129.67 39.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.991 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -76.1 -19.34 58.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.213 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 94.3 m -70.11 -34.51 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.769 0.795 . . . . 0.0 109.317 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' B' ' 73' ' ' LEU . 76.3 t -69.61 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.679 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -51.16 -39.57 56.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.379 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 57.8 t80 -56.67 -52.52 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 111.32 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -66.54 -37.76 85.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 76' ' ' VAL . 73.7 mt -69.68 -37.79 76.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.819 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.79 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.783 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 53.6 mtpt -65.27 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -76.76 -30.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.274 -0.571 . . . . 0.0 109.657 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 25.2 t80 -60.86 -38.03 84.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.365 175.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 53.4 mtm180 -62.86 -23.97 67.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.265 0.555 . . . . 0.0 110.58 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -78.48 -44.01 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.888 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.92 -19.32 62.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.048 0.452 . . . . 0.0 110.297 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.522 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -62.78 -23.67 67.34 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.5 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.7 mptt -53.0 -45.91 68.11 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.43 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.64 -50.62 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.14 -34.85 79.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.96 -49.06 71.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 98' ' ' LYS . 60.4 t -62.24 -35.36 68.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.662 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -54.68 -33.52 60.96 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.471 ' O ' HD23 ' B' ' 108' ' ' LEU . 5.7 m-85 -72.99 -50.88 20.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.62 -24.29 67.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.895 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' B' ' 102' ' ' VAL . 84.1 m-20 -71.79 -17.71 62.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.406 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.8 p -96.64 -11.58 25.04 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.656 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.6 mm? -95.07 -5.65 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.51 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -73.87 150.78 40.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.507 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.11 125.13 19.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.11 33.87 11.49 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.487 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.84 -151.66 16.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.833 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 pt -107.91 -46.46 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -126.61 46.32 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.934 0.397 . . . . 0.0 110.258 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.49 ' HA ' HD13 ' B' ' 108' ' ' LEU . 5.7 p90 -83.98 142.87 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.493 -176.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.439 ' HB2' HG12 ' B' ' 119' ' ' ILE . 10.7 m120 -105.49 149.22 26.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.866 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.65 -34.47 77.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.724 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.36 -25.79 51.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.656 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.9 mm -77.82 -36.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.05 -50.29 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -66.18 -42.41 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -51.1 -58.37 6.29 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.759 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.4 m -54.86 -46.4 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.794 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 81.6 mm-40 -65.27 -52.52 53.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.675 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.429 HG21 ' HG3' ' B' ' 59' ' ' GLU . 94.2 mt -62.68 -42.13 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 111.128 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.461 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -67.95 -60.4 2.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.19 -175.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.06 -29.22 67.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.151 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 24.0 t70 -57.78 -50.03 74.62 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.542 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.6 mmtp -79.47 -25.95 41.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.773 -175.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 11' ' ' GLN . 85.5 mt -70.36 -39.85 74.41 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.536 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -79.97 -3.13 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 0.0 110.11 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.552 178.727 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 pm0 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.745 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 45.7 m-80 -60.8 -46.56 90.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.07 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -51.97 -41.49 62.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.902 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HB3' HD13 ' B' ' 130' ' ' LEU . 77.7 mm-40 -74.76 -38.75 62.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 97.7 mt -59.38 -46.86 87.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.905 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 60.5 mt -55.56 -57.08 13.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.725 -175.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.4 m-20 -67.37 -29.32 68.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' B' ' 126' ' ' LEU . 41.6 t80 -65.02 -58.41 6.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -55.84 -37.11 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.548 0.69 . . . . 0.0 110.205 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 61.6 ttt180 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.006 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 62.3 mt-10 -66.95 -35.24 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.207 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 10.9 mp -57.69 -50.05 74.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.09 78.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.665 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.51 -29.63 68.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.627 0.251 . . . . 0.0 111.666 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' GLU . 27.9 m -104.35 -1.28 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 111.033 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 35.96 15.28 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.503 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' HG2' ' B' ' 43' ' ' LYS . 81.8 mt -107.08 -5.02 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 111.126 175.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 tp -105.8 -13.9 15.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.82 138.55 54.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.529 0.68 . . . . 0.0 111.049 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -134.84 177.62 7.65 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.39 -170.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -142.22 114.56 8.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 95.6 mt -98.48 134.34 41.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.046 0.451 . . . . 0.0 111.867 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -86.97 172.88 9.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.416 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -56.01 -43.87 78.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 0.0 111.198 -177.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.68 -43.63 92.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.426 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 40.2 mt-10 -66.63 -28.37 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.454 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.93 -33.85 59.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.26 -33.23 72.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.33 -23.42 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.531 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.5 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.401 . . . . 0.0 111.339 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.569 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.311 0.577 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -120.22 177.82 4.87 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.312 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 19' ' ' LEU . 33.9 mt -74.23 -178.05 3.25 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 111.144 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -95.06 -41.79 8.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.724 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -92.05 124.43 36.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.413 173.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 46.9 tptt -66.31 -33.87 76.71 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.915 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.611 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.35 -44.46 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -54.02 -36.28 62.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.069 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.95 -52.83 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.288 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.8 mp -64.81 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.755 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -60.6 -32.76 71.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.7 mm-40 -87.98 -17.36 31.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.738 0.304 . . . . 0.0 110.898 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -112.53 32.93 5.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -146.94 81.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.189 0.518 . . . . 0.0 110.831 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.588 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 8.2 pt-20 -72.34 -19.49 61.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.441 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -84.28 -46.64 11.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.994 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.18 -27.73 67.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.174 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.588 ' OE2' ' HA ' ' B' ' 59' ' ' GLU . 12.3 pt-20 -74.82 -26.91 60.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.88 -29.23 58.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.374 0.606 . . . . 0.0 109.411 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 75.2 mt -79.85 15.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -99.47 -17.87 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.227 0.536 . . . . 0.0 109.814 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.444 ' HB2' HG23 ' B' ' 69' ' ' VAL . 63.9 m-85 -89.48 123.58 33.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.843 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 93.8 m-20 -69.08 -19.33 64.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.3 m -68.04 -46.31 71.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.855 0.836 . . . . 0.0 108.948 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 HD13 ' B' ' 119' ' ' ILE . 58.1 t -62.65 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.439 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 51.8 mtpt -56.11 -33.68 65.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.526 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.449 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 63.7 t80 -63.52 -52.85 59.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.816 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -67.57 -30.36 69.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.773 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.599 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.1 mt -73.85 -38.64 64.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.33 -30.34 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.978 0.418 . . . . 0.0 110.175 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 30.1 mmmt -57.91 -41.45 82.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.073 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.599 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.3 m -77.28 -32.56 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.216 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 14.1 t80 -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.504 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 88.3 mtt180 -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.561 . . . . 0.0 110.529 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' B' ' 76' ' ' VAL . 64.4 mt -70.91 -46.32 68.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.96 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -68.78 -22.82 64.26 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.128 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.438 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.418 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -59.81 -33.58 71.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 56.1 mttt -61.13 -31.16 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.88 -52.57 55.85 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.255 0.55 . . . . 0.0 109.582 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.02 -32.24 72.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.347 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.61 -51.3 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 66.0 t -60.39 -36.53 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.723 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -52.56 -40.4 62.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.96 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.3 m-85 -68.3 -47.06 68.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.0 mm? -61.4 -31.95 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.692 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.42 -44.88 95.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.057 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -76.97 -10.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.652 ' HB3' HG21 ' B' ' 119' ' ' ILE . 79.0 mt -101.37 -2.83 29.99 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -105.54 -177.79 3.47 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.636 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -48.14 132.14 15.86 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.226 0.536 . . . . 0.0 111.963 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.78 33.99 57.0 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.526 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.24 -149.01 24.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.877 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.24 -46.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.857 0.36 . . . . 0.0 110.605 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.92 38.41 3.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.559 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 1.4 p90 -80.18 146.48 31.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.874 -172.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.411 ' HB2' HG12 ' B' ' 119' ' ' ILE . 7.6 m120 -123.58 147.16 47.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.7 -27.95 69.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.413 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.86 -35.35 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.638 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -70.94 -39.07 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 42.1 tt0 -58.94 -49.9 76.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.27 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.1 -43.05 99.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.703 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.42 -57.54 8.71 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.475 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 26.4 p -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.053 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 81.8 mm-40 -67.13 -51.68 50.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.543 0.211 . . . . 0.0 111.32 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.509 HG21 ' HG3' ' B' ' 59' ' ' GLU . 75.0 mt -58.94 -44.68 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.389 0.614 . . . . 0.0 110.469 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 15' ' ' PHE . 32.8 tp -70.09 -50.75 37.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.782 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.419 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.3 pp -65.81 -27.11 68.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.337 -175.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.82 -45.9 78.21 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.243 0.544 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.525 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.9 mmtt -85.29 -29.82 24.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.556 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 11' ' ' GLN . 79.3 mt -70.99 -24.97 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.25 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.31 -4.0 39.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.765 0.317 . . . . 0.0 110.626 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.314 0.578 . . . . 0.0 110.83 179.63 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.5 pt-20 . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.804 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 44.3 m-80 -72.56 -32.99 66.49 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.036 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -58.83 -40.58 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.52 ' HB3' HD13 ' B' ' 130' ' ' LEU . 83.9 mm-40 -63.22 -43.04 99.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.101 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.729 HD23 HD12 ' B' ' 126' ' ' LEU . 59.7 mt -58.86 -51.03 71.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.809 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.0 mt -56.31 -54.34 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.331 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 6.0 m-20 -70.88 -24.41 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.276 -176.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CE1' HD21 ' B' ' 126' ' ' LEU . 61.2 t80 -67.58 -52.1 42.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.183 0.516 . . . . 0.0 109.729 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.5 -35.65 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.246 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 44.5 ttt180 -63.68 -46.97 83.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.238 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 45.8 mt-10 -70.73 -31.91 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.173 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.55 -54.54 39.84 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.779 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -70.73 -24.13 77.22 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.78 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.65 -35.03 76.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.726 0.298 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 18' ' ' GLU . 11.8 m -94.51 -12.45 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 110.485 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 96.23 21.9 21.27 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.237 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' B' ' 54' ' ' TYR . 87.6 mt -82.91 -11.61 58.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.741 0.781 . . . . 0.0 109.861 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' B' ' 73' ' ' LEU . 45.1 tp -104.92 -18.14 14.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.9 pt-20 -67.26 136.27 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 110.137 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 71' ' ' PHE . 33.8 p90 -139.04 177.23 8.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.736 -172.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -142.86 106.57 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.13 140.77 29.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.72 -172.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -87.33 167.64 13.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.479 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -50.61 -44.94 57.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.573 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.23 -40.44 86.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 41.8 mt-10 -66.99 -27.7 67.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -27.55 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.239 0.542 . . . . 0.0 109.937 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.5 -36.05 73.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.287 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 m -80.94 -24.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.908 0.385 . . . . 0.0 111.511 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 0.0 111.429 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.098 0.475 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.06 171.05 7.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.77 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 41.7 mt -83.83 174.35 10.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 110.648 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -92.36 -48.74 6.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.171 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 62.7 m -77.66 123.49 26.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.557 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.82 -39.14 90.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.076 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.91 -15.38 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.336 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.79 -40.43 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.298 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -58.9 -38.45 78.91 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.707 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -50.35 -51.73 43.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.08 -40.41 85.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.076 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 24' ' ' LEU . 73.6 t80 -60.2 -30.53 69.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.5 mm-40 -90.66 -20.76 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.385 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -104.44 -5.72 21.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -111.39 83.03 1.7 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.572 0.701 . . . . 0.0 110.313 178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.28 -22.22 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.663 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.652 ' HA ' ' OE1' ' B' ' 62' ' ' GLU . 2.0 pm0 -74.92 -19.81 59.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.449 0.642 . . . . 0.0 109.473 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.19 -48.68 9.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.189 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -61.46 -24.57 66.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.652 ' OE1' ' HA ' ' B' ' 59' ' ' GLU . 10.6 pt-20 -72.24 -20.11 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.977 0.418 . . . . 0.0 109.878 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.98 -34.61 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.8 mm? -71.6 7.56 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.638 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -89.19 -12.07 41.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.212 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.618 ' O ' HG22 ' B' ' 69' ' ' VAL . 91.4 m-85 -95.13 116.8 29.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -62.42 -27.14 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -36.85 83.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.147 0.499 . . . . 0.0 110.849 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.618 HG22 ' O ' ' B' ' 66' ' ' TYR . 1.8 m -81.87 -39.67 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 26.1 mtpp -62.68 -36.09 81.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.935 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.497 ' CG ' HD13 ' A' ' 37' ' ' LEU . 58.6 t80 -57.11 -51.79 67.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.892 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -70.27 -29.56 66.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.224 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 25' ' ' LEU . 92.9 mt -72.77 -37.59 67.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.395 176.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.02 -31.18 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.6 mmmt -58.9 -41.78 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.757 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.1 m -79.6 -32.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.281 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.3 t80 -56.56 -40.78 75.76 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.404 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 45.4 mtp180 -63.11 -35.73 81.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.6 -49.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.126 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' B' ' 80' ' ' LEU . 2.0 mm? -60.87 -20.72 62.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.647 0.26 . . . . 0.0 111.544 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 178.81 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -71.88 -30.94 65.93 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.103 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.58 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.9 mptm? -56.11 -41.92 76.03 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.261 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.18 -57.0 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.89 -31.12 70.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.334 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -67.38 -46.24 73.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.606 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 98' ' ' LYS . 87.3 t -60.48 -30.68 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 110.624 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.38 -30.78 71.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.257 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.7 m-85 -80.33 -41.79 24.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.586 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.8 mm? -61.43 -30.12 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -68.54 -26.91 65.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.488 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -89.5 -6.26 56.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.397 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.533 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 82.3 mt -103.8 -3.05 25.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.694 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -96.27 159.34 15.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 63.7 t80 -48.56 130.37 17.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 111.645 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.14 58.08 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.995 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.8 -151.1 15.95 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.249 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.47 -40.67 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.687 0.279 . . . . 0.0 111.421 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -133.52 42.65 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.533 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 2.5 p90 -74.58 151.39 39.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.545 -172.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.483 ' HB2' HG12 ' B' ' 119' ' ' ILE . 86.4 m-20 -112.88 136.95 51.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.153 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.2 OUTLIER -60.9 -29.54 69.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.737 178.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.608 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.54 -44.13 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.701 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' B' ' 108' ' ' LEU . 42.6 mm -60.43 -36.53 70.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 110.559 176.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.507 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 43.5 tt0 -58.58 -40.18 82.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.759 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.452 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -49.96 -60.64 2.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.4 p -56.11 -44.16 78.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.625 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 75.7 mm-40 -64.99 -53.01 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.781 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.428 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.4 mt -62.0 -41.37 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.204 0.526 . . . . 0.0 111.116 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -69.74 -59.14 3.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.279 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.4 pp -59.41 -30.13 68.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.315 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 19.7 t70 -55.63 -54.0 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.27 -35.23 71.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.562 HD12 HD13 ' B' ' 126' ' ' LEU . 56.1 mt -70.79 -15.76 62.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.769 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -102.93 -15.5 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.115 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.376 0.607 . . . . 0.0 110.736 179.428 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 111.039 0.015 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.75 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -58.13 -32.78 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.143 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.86 -42.02 99.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.085 0.469 . . . . 0.0 110.017 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -75.11 -36.01 61.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.484 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.4 mp -54.54 -45.14 73.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.869 176.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.7 mt -61.1 -48.9 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.415 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.25 -30.97 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.395 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.4 t80 -64.03 -53.89 42.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.893 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.1 mt -56.77 -40.8 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.843 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -61.93 -41.97 98.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.294 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 64.5 mt-10 -67.38 -33.65 75.64 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 176.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.0 mt -56.72 -52.04 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 110.618 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.89 -15.98 72.07 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.536 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -80.01 -30.37 39.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.557 0.218 . . . . 0.0 111.032 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 HD13 ' A' ' 24' ' ' LEU . 4.1 m -102.09 -21.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.645 0.26 . . . . 0.0 111.486 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.63 20.57 4.58 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.87 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 mp -91.46 -27.35 18.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.865 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 73' ' ' LEU . 47.8 tp -93.21 -14.55 26.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.368 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.99 139.99 57.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.336 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 45.9 p90 -143.91 175.14 10.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.731 -173.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -145.14 110.35 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 92.1 mt -98.49 131.01 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -177.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -84.09 175.72 9.3 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -61.56 -38.3 86.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.103 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -61.7 -41.5 97.68 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.887 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.1 mt-10 -74.25 -32.54 63.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.496 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.96 -27.16 60.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.299 0.571 . . . . 0.0 109.919 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.7 -38.06 80.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.035 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 m -84.31 -23.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.457 -177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 68.3 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.677 0.275 . . . . 0.0 111.604 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -112.24 161.04 17.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 19' ' ' LEU . 44.5 mt -78.38 175.25 10.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.692 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -97.48 -37.87 9.81 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.517 -173.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.5 m -85.05 122.5 29.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -63.62 -34.9 78.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.334 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.37 79.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -79.11 -45.3 20.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.067 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.8 t70 -57.06 -34.88 68.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.57 -53.98 26.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.109 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.9 mp -65.94 -40.25 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.91 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.474 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 74.5 t80 -60.23 -39.61 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.081 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' B' ' 54' ' ' TYR . 56.4 mm-40 -83.84 -19.43 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 110.563 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.6 24.35 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.118 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -146.74 97.82 2.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.051 0.453 . . . . 0.0 110.741 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.99 61.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 35.8 mm-40 -70.53 -38.95 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.159 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.88 -33.47 62.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.479 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 18.6 tp60 -65.99 -43.23 88.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.357 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.7 pt-20 -62.72 -34.91 78.15 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.287 -173.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.09 -36.33 83.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.98 10.6 9.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 32.0 mmmt -100.07 -3.86 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -105.69 136.33 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.051 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 95.4 m-20 -74.08 -20.91 60.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.515 -176.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 88.1 m -71.01 -43.8 67.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.856 0.836 . . . . 0.0 109.758 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.51 -55.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.022 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 55.7 mtmt -56.3 -37.92 70.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.956 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -57.55 -52.42 65.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.0 111.118 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.457 ' HB3' HD13 ' B' ' 108' ' ' LEU . 25.1 m80 -70.62 -27.33 63.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.363 -176.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.613 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt -77.6 -34.04 53.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.819 0.342 . . . . 0.0 110.744 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.49 -26.82 68.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.791 177.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.64 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.613 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -84.38 -31.5 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.183 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.3 t80 -58.81 -40.49 84.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.954 0.407 . . . . 0.0 110.405 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 76.1 mtt180 -62.3 -28.82 70.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.665 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.09 -56.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.902 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.516 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -57.62 -30.61 65.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.433 -178.03 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.75 -35.55 74.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.29 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.8 mptt -48.47 -57.11 6.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.262 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -55.36 -55.89 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.14 -38.11 75.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' ' 13' ' ' LEU . . . -65.62 -50.07 66.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 98' ' ' LYS . 49.1 t -63.53 -31.79 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.808 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.421 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 14.7 m-80 -62.51 -22.59 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.802 178.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.37 -40.21 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.61 -26.81 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.669 0.271 . . . . 0.0 110.477 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 14.2 m120 -61.95 -24.64 67.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.423 ' HB ' HG12 ' B' ' 113' ' ' ILE . 32.4 p -99.01 -2.49 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.6 mt -116.52 -31.98 5.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.774 -170.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -125.43 119.6 28.71 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.877 -174.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.23 55.82 27.19 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.655 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.76 -168.98 23.45 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.112 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.423 HG12 ' HB ' ' B' ' 107' ' ' THR . 13.5 pt -103.1 -33.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.249 0.547 . . . . 0.0 110.768 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.67 41.31 3.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.581 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -80.7 138.74 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.131 -169.492 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.573 ' HB2' HG12 ' B' ' 119' ' ' ILE . 29.9 m-20 -113.2 137.25 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.622 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 15.0 pt-20 -60.68 -25.48 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.404 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.127 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.573 HG12 ' HB2' ' B' ' 116' ' ' ASN . 43.9 mm -72.04 -37.63 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 8.9 tp10 -65.24 -46.88 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.605 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 21.9 mm-40 -56.38 -45.11 80.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.96 -56.58 16.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.456 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.04 -46.47 89.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.138 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 12.9 mm100 -63.12 -53.91 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.715 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.403 HD11 ' CE2' ' A' ' 15' ' ' PHE . 42.3 tp -68.89 -49.05 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.445 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.62 -30.12 70.79 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.198 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -54.37 -46.95 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.693 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.466 ' HB2' HG12 ' B' ' 53' ' ' ILE . 33.8 mmtp -84.61 -25.24 28.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.901 -177.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 72.5 mt -72.49 -25.63 61.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.0 110.712 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -82.51 -14.83 54.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 109.857 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.96 -177.521 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.4 pt-20 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.088 0.471 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 p30 -69.51 -36.06 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.325 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -57.6 -34.17 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.09 0.471 . . . . 0.0 110.304 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.46 ' HB3' HD13 ' B' ' 130' ' ' LEU . 82.2 mm-40 -77.56 -40.18 43.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.296 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 9' ' ' ASN . 95.4 mt -55.91 -46.92 78.29 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.028 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.0 mt -58.92 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.482 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -29.45 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.48 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.1 t80 -69.47 -53.17 20.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.195 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 19' ' ' LEU . 77.9 mt -55.67 -39.96 57.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.391 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 77.8 ttt180 -61.16 -44.59 97.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 56.1 mt-10 -64.82 -35.17 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.285 177.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.576 HD23 HD21 ' B' ' 45' ' ' LEU . 74.5 mt -57.74 -52.99 63.2 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.192 0.52 . . . . 0.0 110.281 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -23.72 77.8 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.828 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.92 -30.22 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.824 0.312 . . . . 0.0 111.384 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' GLU . 29.3 m -98.55 -20.25 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.748 0.309 . . . . 0.0 110.936 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.3 28.11 5.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.441 -0.885 . . . . 0.0 113.395 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' HE3' ' B' ' 43' ' ' LYS . 56.6 mt -96.27 -27.73 14.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.071 0.462 . . . . 0.0 110.73 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' B' ' 73' ' ' LEU . 58.3 tp -86.06 -21.98 27.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.336 178.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.69 138.23 47.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.598 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 49.5 p90 -146.63 178.29 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.726 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -145.65 138.53 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.46 HD13 HD12 ' A' ' 37' ' ' LEU . 59.5 mt -119.15 134.15 55.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m -86.26 172.06 10.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -57.97 -40.53 80.87 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.828 0.347 . . . . 0.0 110.609 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.66 -41.02 98.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 mm-40 -67.95 -32.77 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.13 -27.84 61.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.262 0.553 . . . . 0.0 110.214 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.31 -35.65 80.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.299 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.44 -21.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.8 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.589 -176.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.435 ' HE3' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 111.153 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.51 178.76 4.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.672 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.576 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -75.28 173.31 11.03 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.28 0.562 . . . . 0.0 110.514 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -91.77 -36.57 13.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.27 -174.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 43.7 m -96.79 127.01 42.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.36 -36.66 84.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.215 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.31 71.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.473 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -81.85 -44.2 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.38 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 28.6 t70 -54.75 -41.07 70.0 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.096 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -51.56 -49.27 62.38 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.35 -41.64 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 110.937 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.55 -25.26 67.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 56.3 mm-40 -95.37 -39.2 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.495 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -73.13 -27.57 61.76 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.827 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.6 m -110.72 85.02 2.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.262 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -26.0 68.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.556 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 35.7 mt-10 -61.9 -36.33 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.045 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.27 -39.79 65.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.288 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -63.07 -42.21 99.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.609 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.7 pt-20 -68.64 -23.5 64.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -173.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 84.3 mt -70.42 -38.55 74.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.204 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.3 mm? -72.73 7.95 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.837 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -99.49 5.72 46.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.919 0.39 . . . . 0.0 110.459 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.494 ' O ' HG22 ' B' ' 69' ' ' VAL . 84.4 m-85 -105.02 119.43 38.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.46 -33.42 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.978 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.421 HG23 ' CD2' ' A' ' 37' ' ' LEU . 97.3 m -62.08 -36.11 80.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' B' ' 118' ' ' ALA . 1.3 m -83.44 -38.99 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 25.8 mtpp -61.28 -40.82 95.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.819 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 42.7 t80 -55.77 -51.99 65.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.143 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -68.26 -35.81 78.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.538 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.625 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.1 mt -73.91 -34.85 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 110.998 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.22 -31.27 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.4 mtpt -63.26 -29.86 71.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -82.48 -33.33 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -60.78 -34.87 75.14 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.012 0.434 . . . . 0.0 110.129 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 23.4 mtp180 -60.71 -27.48 67.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.955 176.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -78.89 -44.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.669 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.3 mm? -69.32 -21.19 63.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.277 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.935 177.853 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.811 0 CA-C-O 121.074 0.464 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -62.07 -35.86 79.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.366 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.548 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.6 mptm? -58.99 -43.39 91.47 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.785 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.08 -52.33 66.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -36.86 78.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.779 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.85 -46.03 89.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.398 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 98' ' ' LYS . 92.6 t -60.48 -37.75 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 110.63 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -61.04 -33.64 73.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.531 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.8 m-85 -72.27 -44.0 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.593 0.235 . . . . 0.0 110.482 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.1 mm? -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.666 177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.59 -33.41 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 75.9 p -81.2 -11.81 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.988 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 41.5 mt -106.06 -6.63 18.55 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.404 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' B' ' 110' ' ' TYR . 30.5 ttp180 -69.26 158.24 35.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.943 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.54 ' N ' ' HG2' ' B' ' 109' ' ' ARG . 83.2 t80 -50.37 128.83 20.64 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.69 33.87 41.12 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.83 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.62 -148.72 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.1 pt -112.76 -49.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.075 0.464 . . . . 0.0 111.164 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -121.73 46.49 2.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -80.63 151.24 29.12 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.956 -171.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.32 142.82 49.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.5 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 1.3 pm0 -65.74 -26.65 67.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.287 -176.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.587 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -78.32 -44.01 26.37 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.289 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' B' ' 108' ' ' LEU . 43.2 mm -57.58 -41.07 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 31.2 tt0 -56.0 -56.33 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.377 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.54 -28.55 67.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.684 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 68.5 t80 -55.06 -58.71 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.519 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.1 p -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.711 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 30.4 mm-40 -70.36 -62.49 1.37 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 61.9 mt -57.86 -35.11 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.276 0.56 . . . . 0.0 110.665 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.1 tp -72.1 -53.64 12.2 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.418 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 127' ' ' LEU . 1.7 pp -65.47 -29.26 69.9 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.15 -51.01 67.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.109 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -77.77 -30.72 51.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.823 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 11' ' ' GLN . 73.3 mt -64.12 -29.77 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.992 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -91.57 -13.71 31.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 0.0 110.772 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.169 0.509 . . . . 0.0 111.633 -178.335 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.3 pt-20 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.765 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 42.6 m-80 -60.7 -41.87 96.05 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.358 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -55.86 -39.85 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.616 ' HB3' HD13 ' B' ' 130' ' ' LEU . 21.5 mm-40 -73.79 -40.31 63.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 83.4 mt -55.85 -48.96 74.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.292 177.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 39.8 mt -53.59 -51.02 64.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.968 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -76.44 -28.65 56.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 19' ' ' LEU . 76.1 t80 -63.64 -54.9 28.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.04 -35.23 63.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.442 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 66.6 ttt180 -62.41 -46.1 90.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.968 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 22' ' ' VAL . 48.8 mt-10 -66.26 -34.77 78.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.091 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 15' ' ' PHE . 6.7 mp -53.81 -58.6 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 110.722 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.34 -21.05 68.11 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.0 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.12 -33.34 59.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.884 0.342 . . . . 0.0 111.349 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG23 ' HG ' ' A' ' 24' ' ' LEU . 16.1 m -97.38 -19.53 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.029 0.442 . . . . 0.0 110.86 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.0 29.85 4.17 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.079 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.5 mt -95.64 0.53 52.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.119 0.485 . . . . 0.0 110.555 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD13 ' HA ' ' B' ' 74' ' ' ALA . 2.2 mt -113.94 -20.74 10.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.081 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.3 135.29 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.636 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.71 174.68 11.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.659 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.02 109.02 2.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.3 mt -83.18 135.92 34.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.463 -172.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -93.12 175.7 6.68 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.22 -41.36 68.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.791 0.329 . . . . 0.0 111.276 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.63 -33.11 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.059 0.457 . . . . 0.0 110.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -79.25 -26.48 42.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.118 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.8 mttt -81.92 -29.36 32.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.365 0.602 . . . . 0.0 109.841 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.22 -34.18 77.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.394 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -84.72 -24.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 59.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.665 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.034 0.445 . . . . 0.0 110.25 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.92 172.74 6.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.65 175.94 8.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.02 0.438 . . . . 0.0 110.969 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -95.13 -44.86 7.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.345 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 37.6 m -82.39 123.05 28.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.838 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.45 -32.52 74.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.229 -176.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.49 -33.3 73.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.652 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -86.94 -40.91 14.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.24 0.543 . . . . 0.0 110.512 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -54.46 -38.21 66.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.633 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.89 -49.5 62.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.568 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -65.98 -35.22 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 35.9 t80 -61.13 -39.24 89.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.612 0.244 . . . . 0.0 110.872 -176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.334 0.588 . . . . 0.0 110.818 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -78.37 -0.46 29.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.71 -172.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -128.72 83.66 2.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.452 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.76 -18.88 65.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.531 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.582 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -76.91 -22.49 53.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.939 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.86 -35.45 24.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -65.88 -36.54 83.7 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.45 -20.69 60.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 111.087 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.453 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -73.79 -23.8 59.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 35.3 mt -82.32 16.21 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.205 0.526 . . . . 0.0 110.808 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -101.67 10.01 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.263 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.652 ' O ' HG22 ' B' ' 69' ' ' VAL . 59.6 m-85 -109.96 114.62 28.3 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -62.44 -29.37 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.234 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' B' ' 118' ' ' ALA . 3.2 m -83.35 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.605 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 58.0 mtpt -60.56 -38.91 86.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.028 0.442 . . . . 0.0 109.812 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.704 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 52.9 t80 -55.97 -52.39 64.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.612 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -71.13 -38.4 72.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 85.3 mt -64.64 -48.97 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 111.066 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.61 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 51.3 mtpt -63.55 -36.77 84.87 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.699 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -75.11 -34.19 30.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 12.2 t80 -57.78 -41.2 81.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 72.3 mtp180 -58.81 -34.97 72.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.757 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 73.6 mt -64.0 -40.43 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.713 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.13 -16.64 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.942 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 172.806 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.556 HD12 HD23 ' B' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.815 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.516 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.0 mptp? -54.54 -48.75 71.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.501 173.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.14 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.721 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.556 HD23 HD12 ' B' ' 96' ' ' LEU . 4.6 mm? -61.32 -36.38 79.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.204 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 98' ' ' LYS . 78.0 t -58.28 -38.14 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.779 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.37 -36.77 71.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.72 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.8 m-85 -72.4 -43.22 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.849 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.26 -26.97 68.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.553 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.15 -34.77 73.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.214 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 78.3 p -78.48 -16.49 57.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.67 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 59.0 mt -98.58 3.09 47.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.419 HH22 ' NE2' ' B' ' 124' ' ' GLN . 2.0 tpt85 -76.27 160.03 30.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.682 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -64.38 111.67 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.41 40.88 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.032 -175.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.84 -141.1 0.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.302 -0.475 . . . . 0.0 111.948 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 pt -113.52 -43.71 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 122.558 -0.378 . . . . 0.0 111.65 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -131.78 46.03 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.5 p90 -72.91 146.76 45.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.143 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.554 ' HB2' HG12 ' B' ' 119' ' ' ILE . 75.8 m-20 -111.41 139.64 46.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.0 -31.73 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.951 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.06 -28.61 54.76 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.474 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.554 HG12 ' HB2' ' B' ' 116' ' ' ASN . 33.1 mm -65.84 -41.75 90.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.1 0.476 . . . . 0.0 109.874 174.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 0.5 OUTLIER -59.78 -54.18 49.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.583 177.764 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.905 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.08 -58.87 6.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.304 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.6 p -61.6 -41.06 96.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 80.2 mm-40 -59.16 -62.31 1.98 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.03 0.206 . . . . 0.0 111.22 -177.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.582 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -55.29 -42.01 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.41 0.624 . . . . 0.0 111.322 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -70.98 -59.4 2.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.464 -175.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.5 pp -58.21 -31.73 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.42 -49.25 72.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.961 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.568 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.8 mmtt -77.99 -28.9 49.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.584 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 11' ' ' GLN . 91.7 mt -70.23 -24.49 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 176.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -95.95 -8.44 33.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.85 0.357 . . . . 0.0 110.996 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.192 0.52 . . . . 0.0 111.219 -178.865 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.497 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.9 pt-20 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 p30 -55.0 -31.11 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.455 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -57.88 -30.52 65.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HB3' HD13 ' B' ' 130' ' ' LEU . 81.5 mm-40 -84.34 -38.14 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.98 0.419 . . . . 0.0 110.158 176.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 8' ' ' GLU . 10.0 mp -56.45 -49.32 74.95 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.387 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 52.2 mt -53.84 -53.72 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.669 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -37.37 85.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.012 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' HD13 ' A' ' 19' ' ' LEU . 79.3 t80 -60.5 -55.95 27.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.305 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.24 -35.58 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -64.24 -44.85 90.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' VAL . 67.6 mt-10 -64.66 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.398 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 15' ' ' PHE . 8.0 mp -58.14 -56.83 16.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 175.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.71 70.75 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.521 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.66 -37.39 79.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.508 0.194 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 HD13 ' A' ' 24' ' ' LEU . 6.4 m -104.21 -22.54 4.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.81 37.6 1.04 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.027 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 HG23 ' A' ' 22' ' ' VAL . 1.6 mp -96.99 -15.01 21.29 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.555 0.693 . . . . 0.0 110.008 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' B' ' 74' ' ' ALA . 9.5 mt -99.83 -15.11 18.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.878 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.38 125.33 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.039 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' HD1' ' O ' ' A' ' 25' ' ' LEU . 48.8 p90 -140.73 176.97 8.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.982 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.2 135.02 20.03 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.35 135.83 54.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.9 p -84.6 175.29 9.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.833 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.89 -41.27 82.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.32 -50.24 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.5 mt-10 -64.4 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.8 -32.42 52.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 110.361 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.052 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.87 -22.67 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.413 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 63.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.01 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.157 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.574 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.6 p -101.51 166.73 10.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.839 0.352 . . . . 0.0 111.44 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 19' ' ' LEU . 52.9 mt -80.38 178.77 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.852 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.2 mmmm -89.68 -48.7 7.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.31 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -88.19 127.63 35.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.028 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.41 -35.22 80.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.82 -20.41 65.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.785 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.16 -44.23 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.224 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.2 t70 -55.96 -35.75 67.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.859 -178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -50.38 -51.04 49.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.355 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.525 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.2 mp -66.8 -39.79 84.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.887 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -61.67 -33.79 74.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.574 ' NE2' HG22 ' B' ' 44' ' ' THR . 70.0 mm-40 -86.82 -24.19 25.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -104.88 17.02 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.12 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -141.76 99.79 3.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.229 0.538 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.4 -21.88 55.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.28 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.0 pt-20 -80.04 -24.33 40.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.42 -35.46 25.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.55 -39.77 92.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.626 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.61 -22.78 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.649 0.261 . . . . 0.0 111.595 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.94 -30.23 65.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -82.12 4.41 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.13 -17.75 28.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -88.87 122.83 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.777 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.14 -26.48 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.2 m -69.89 -36.43 75.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.825 0.822 . . . . 0.0 109.87 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 87.5 t -75.86 -56.53 8.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.533 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.45 -22.38 66.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.441 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.65 -51.01 71.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.1 0.476 . . . . 0.0 110.638 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -71.29 -28.16 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.135 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt -74.63 -46.16 40.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.924 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -63.91 -23.24 67.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.361 -0.212 . . . . 0.0 111.531 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.555 0.216 . . . . 0.0 110.796 171.771 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -75.09 -27.7 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.46 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.44 -40.01 81.39 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.063 0.459 . . . . 0.0 110.486 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.56 -32.83 74.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.177 0.513 . . . . 0.0 110.068 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -43.26 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.853 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.1 mm? -65.49 -10.25 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.017 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.244 176.228 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.422 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -61.91 -37.32 84.19 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.557 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.6 mptp? -55.54 -44.64 76.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 175.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.5 -51.4 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -33.21 73.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.89 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.57 -51.09 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.221 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 98' ' ' LYS . 40.9 t -61.28 -34.57 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -53.13 -36.26 60.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.407 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.3 m-85 -74.86 -42.11 58.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.389 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.69 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.398 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -101.42 -2.05 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 109.95 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.4 mm? -103.29 -13.68 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.18 152.62 39.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.081 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.41 121.53 3.48 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.72 0.638 . . . . 0.0 110.888 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.98 56.87 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.705 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 -170.07 11.9 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.267 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 114' ' ' HIS . 21.5 pt -84.17 -49.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.438 ' N ' HG13 ' B' ' 113' ' ' ILE . 26.3 m80 -127.25 39.77 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -74.87 136.35 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.429 0.633 . . . . 0.0 110.523 -174.293 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.57 ' HB2' HG12 ' B' ' 119' ' ' ILE . 14.7 m120 -108.16 135.05 50.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.632 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -63.95 -28.04 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -75.28 -22.44 57.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.462 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.57 HG12 ' HB2' ' B' ' 116' ' ' ASN . 26.2 mm -76.62 -37.14 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.44 -49.02 78.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.013 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.03 -60.71 2.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.996 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 p -60.17 -39.97 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.135 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -62.64 -58.35 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' B' ' 59' ' ' GLU . 52.7 mt -59.48 -41.17 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.57 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.82 -60.35 2.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.757 -174.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -34.87 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -175.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.28 -40.15 93.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.68 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.422 ' CB ' HG12 ' B' ' 53' ' ' ILE . 34.9 mmtp -77.14 -30.5 55.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.636 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 11' ' ' GLN . 62.3 mt -73.81 -22.18 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.829 0.347 . . . . 0.0 111.214 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -85.94 -17.12 36.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.102 0.477 . . . . 0.0 110.149 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.811 -179.108 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.785 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.571 0.224 . . . . 0.0 110.924 177.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -66.77 -31.66 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.205 0.526 . . . . 0.0 110.122 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' B' ' 130' ' ' LEU . 66.8 mm-40 -76.6 -43.31 39.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.527 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.4 mp -50.2 -54.56 20.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.825 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.2 mt -54.27 -50.78 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.907 -172.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 2.3 t70 -76.73 -27.12 55.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.438 -174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 68.8 t80 -62.62 -52.69 62.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.128 0.49 . . . . 0.0 109.935 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.17 -39.34 72.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.222 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 40.5 ttt180 -61.73 -43.89 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.766 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 57.7 mt-10 -61.83 -39.03 90.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 mt -57.49 -47.5 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.163 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.79 -24.41 76.35 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.652 -0.703 . . . . 0.0 113.236 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.17 -30.83 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.429 0.615 . . . . 0.0 111.243 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.4 m -101.79 -11.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.539 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.47 37.4 5.59 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.057 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' HG23 ' A' ' 22' ' ' VAL . 94.7 mt -103.26 -23.72 13.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.354 0.597 . . . . 0.0 109.931 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 73' ' ' LEU . 66.5 tp -92.08 -11.4 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.802 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.11 144.03 55.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.42 175.19 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.157 0.503 . . . . 0.0 111.495 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -147.69 127.38 13.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.711 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 73.9 mt -108.3 133.66 52.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.955 0.407 . . . . 0.0 111.986 -173.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 175.25 7.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.391 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -56.87 -41.44 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.419 . . . . 0.0 110.66 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.22 -43.2 95.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.696 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.596 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.1 mm-40 -67.88 -32.32 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.327 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.7 mttt -73.48 -30.4 63.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.328 0.585 . . . . 0.0 109.739 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.15 -34.87 68.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.078 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.47 -25.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.626 0.25 . . . . 0.0 111.373 -177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.627 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.43 HG22 ' NE2' ' B' ' 55' ' ' GLN . 4.2 p -108.52 165.52 11.47 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.545 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 19' ' ' LEU . 42.9 mt -77.1 179.77 6.08 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.247 0.546 . . . . 0.0 111.954 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -86.36 -41.81 14.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -99.31 129.94 45.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.976 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.38 -31.89 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.871 0.367 . . . . 0.0 110.686 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.24 63.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -98.99 -44.91 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.153 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.9 t70 -55.63 -36.01 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.457 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.88 -46.95 64.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.472 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.1 mp -70.34 -41.3 78.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.881 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.489 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 89.7 t80 -59.45 -37.86 79.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.894 0.378 . . . . 0.0 110.944 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.8 mm-40 -81.11 -21.04 40.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -113.85 31.99 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.405 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -147.49 102.8 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.063 0.458 . . . . 0.0 110.53 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.61 -32.22 57.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.381 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 12.6 mm-40 -66.77 -36.17 81.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.314 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.53 -28.51 61.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.86 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 6.6 tp-100 -78.34 -36.63 46.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.569 -178.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 20.1 pt-20 -62.83 -29.41 70.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.025 0.441 . . . . 0.0 110.346 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.38 -38.2 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.19 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.12 5.4 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.535 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 30.4 mmmt -97.38 -14.52 21.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.106 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -83.8 132.8 34.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -67.96 -27.19 66.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 37' ' ' LEU . 80.0 m -74.98 -34.4 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.499 0.666 . . . . 0.0 110.259 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.419 HG13 HD13 ' B' ' 119' ' ' ILE . 92.0 t -71.69 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.115 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -55.25 -36.8 66.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.73 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.529 ' CG ' HD13 ' A' ' 37' ' ' LEU . 54.6 t80 -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.302 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -71.5 -35.98 70.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.647 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.8 mt -72.0 -33.4 68.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.671 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.72 -31.41 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.797 0.332 . . . . 0.0 110.623 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.7 mtpt -65.23 -29.66 70.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.647 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.3 m -83.54 -31.3 8.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.601 -0.44 . . . . 0.0 109.832 177.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.1 t80 -59.56 -38.57 81.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.046 0.451 . . . . 0.0 110.141 176.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 93.4 mtt180 -59.72 -32.09 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.327 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -71.17 -54.43 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.544 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -59.74 -23.94 63.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.681 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.987 177.854 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -63.94 -39.77 94.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.588 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.9 mptt -55.25 -48.1 74.45 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.366 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.35 -54.09 50.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.96 -37.48 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.19 -48.49 73.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 48.0 t -63.48 -32.71 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 0.0 110.709 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -54.21 -35.11 62.04 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.633 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.1 m-85 -73.65 -46.41 46.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.5 mm? -60.19 -33.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.47 -37.11 86.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.89 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 59.2 p -81.6 -5.51 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.998 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 84.4 mt -104.07 -9.33 18.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.671 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.88 170.19 9.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -48.08 131.72 15.77 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.299 0.571 . . . . 0.0 111.872 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.56 45.52 7.3 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.212 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.02 -166.56 12.4 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.593 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.9 pt -95.43 -44.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.903 0.382 . . . . 0.0 111.407 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -126.12 40.38 3.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -78.92 143.44 35.83 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.068 -170.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -134.04 132.89 40.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.105 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.49 -23.97 67.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.666 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.5 65.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -75.44 -39.07 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.34 -45.85 86.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.952 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -44.45 94.25 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.207 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -51.75 -54.47 28.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.187 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.31 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.558 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 80.1 mm-40 -66.36 -51.92 52.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.257 -171.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.11 -39.43 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.179 0.514 . . . . 0.0 110.926 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.468 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -70.45 -58.4 3.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.998 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.5 pp -59.35 -31.1 68.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.505 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 16.8 t70 -54.79 -48.92 72.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.801 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.468 ' HB2' HG12 ' B' ' 53' ' ' ILE . 61.0 mmtt -80.09 -27.82 39.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.951 -175.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 11' ' ' GLN . 90.9 mt -70.43 -35.03 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.632 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -81.73 -9.37 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.077 0.465 . . . . 0.0 110.267 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.291 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.594 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 p30 -59.14 -28.52 66.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.103 -175.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 m -52.29 -36.69 53.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 110.761 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' B' ' 130' ' ' LEU . 87.4 mm-40 -83.88 -38.29 21.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.9 mp -57.9 -47.63 82.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.011 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 71.4 mt -55.83 -49.64 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.262 -173.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 8.3 m-20 -66.0 -36.44 83.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 t80 -62.03 -54.0 47.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 19' ' ' LEU . 68.7 mt -59.95 -37.9 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 0.0 110.433 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 72.1 ttt180 -62.17 -47.45 84.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.758 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 52.9 mt-10 -63.27 -31.92 73.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.6 mt -57.7 -51.57 69.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.066 0.46 . . . . 0.0 110.008 176.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.82 -26.08 74.63 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.215 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -68.6 -37.25 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.217 0.509 . . . . 0.0 111.389 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 18' ' ' GLU . 26.1 m -99.01 -20.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.324 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 103.61 38.08 2.86 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.012 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -107.87 -10.61 15.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.403 0.62 . . . . 0.0 110.492 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 74' ' ' ALA . 60.1 tp -97.38 -2.24 42.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.666 171.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 6.2 pt-20 -53.77 141.67 26.08 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.501 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -150.69 167.34 27.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.352 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -153.98 114.49 3.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 56.0 mt -93.15 133.11 36.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.117 -172.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -96.93 179.53 4.91 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.39 -38.51 71.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 110.698 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -66.08 -42.77 88.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 15.4 mm-40 -71.65 -33.73 69.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.158 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 99.1 mttt -79.73 -22.03 43.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.73 -32.83 66.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.931 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -84.33 -26.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.918 0.39 . . . . 0.0 111.118 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 56.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.274 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.542 0.687 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.5 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -112.5 178.09 4.42 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.304 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.515 HD21 HD23 ' A' ' 19' ' ' LEU . 50.7 mt -75.73 -176.48 3.34 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.413 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 35.5 mtpt -92.34 -46.42 7.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.317 0.579 . . . . 0.0 109.943 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -89.08 126.52 35.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 174.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -67.76 -33.45 74.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.811 0.338 . . . . 0.0 110.717 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.855 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.26 -45.95 7.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.16 0.505 . . . . 0.0 109.967 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.14 -35.43 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.109 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -53.41 -48.48 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.37 -41.75 89.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 0.0 110.827 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -58.39 -35.77 72.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.726 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.1 mm-40 -86.23 -17.19 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -113.81 28.97 8.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -147.0 90.53 1.91 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.05 0.452 . . . . 0.0 111.074 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.29 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.671 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 28.7 mt-10 -65.03 -45.35 85.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.068 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.55 -34.81 79.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -70.64 -40.13 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.828 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.9 pt-20 -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 110.88 -174.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 44.9 mt -74.18 -33.06 63.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.301 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.578 ' O ' ' HD3' ' B' ' 70' ' ' LYS . 33.0 mt -77.78 17.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -104.17 -5.64 21.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.571 ' O ' HG22 ' B' ' 69' ' ' VAL . 94.4 m-85 -93.84 118.29 31.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 83.5 m-20 -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -59.01 -39.05 80.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 111.422 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -83.33 -40.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' B' ' 64' ' ' LEU . 57.8 mtmt -62.62 -36.76 83.81 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.26 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.565 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 50.6 t80 -55.17 -49.62 71.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.79 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -69.63 -38.31 77.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.131 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.8 mt -68.19 -36.87 80.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.01 -26.14 65.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 58.9 mtpt -66.67 -32.02 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -79.32 -31.66 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.728 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.39 -36.91 79.21 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.285 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 21.2 mtm180 -59.19 -34.11 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.212 0.53 . . . . 0.0 110.144 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.43 -46.38 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.262 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -68.54 -10.95 59.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.201 0.524 . . . . 0.0 110.464 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.449 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.757 177.018 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.445 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.9 pp . . . . . 0 CA--C 1.521 -0.135 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -58.24 -34.34 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.426 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.62 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -59.08 -44.47 91.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.82 -47.9 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.46 -33.08 74.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.82 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.071 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.8 t -60.23 -36.24 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.547 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -57.12 -30.04 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.274 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.637 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.4 m-85 -79.54 -40.06 30.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.603 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.5 -29.62 67.3 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.799 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -69.37 -34.12 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.377 . . . . 0.0 110.715 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 45.0 p -81.69 -14.38 56.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.6 mt -95.5 -2.88 47.74 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.007 174.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -89.67 164.7 14.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.156 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.588 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 49.1 t80 -49.38 132.55 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 111.466 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.36 72.3 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.729 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.89 -152.45 22.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.281 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 pt -115.47 -33.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 0.0 111.267 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -130.79 39.39 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.572 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -76.0 139.09 41.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.352 0.596 . . . . 0.0 110.509 -174.271 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -118.39 144.74 45.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.779 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.81 72.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.081 -176.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -84.09 -29.77 26.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 108' ' ' LEU . 41.3 mm -64.38 -43.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.64 176.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.588 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 19.4 mt-10 -61.93 -48.68 79.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.695 176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.96 -41.73 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -55.39 -61.74 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.442 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' CYS . . . . . 0.474 ' HB2' HD21 ' A' ' 12' ' ' LEU . 26.2 p -59.73 -41.12 90.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.239 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 84.1 mm-40 -70.1 -46.1 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 -174.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.81 -35.65 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.555 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.507 HD13 HD12 ' B' ' 130' ' ' LEU . 1.2 tm? -68.98 -59.78 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.057 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 1.9 pp -57.42 -30.54 65.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.8 t70 -54.25 -51.28 65.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.122 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -81.22 -31.33 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.697 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.507 HD12 HD13 ' B' ' 126' ' ' LEU . 13.7 mt -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -91.47 -1.85 57.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.852 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.865 -179.775 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.8 pm0 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.19 0.519 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.746 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 p30 -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.106 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 t -59.49 -38.61 81.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.084 0.468 . . . . 0.0 109.775 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HB3' HD13 ' B' ' 130' ' ' LEU . 84.2 mm-40 -72.59 -37.04 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.088 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 90.9 mt -56.72 -52.68 64.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 173.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 63.5 mt -57.48 -45.96 84.26 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.171 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.89 -36.23 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.342 -176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CD1' HD21 ' B' ' 126' ' ' LEU . 62.3 t80 -69.77 -52.77 22.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.627 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 19' ' ' LEU . 83.9 mt -54.73 -39.64 48.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.592 0.71 . . . . 0.0 110.414 177.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.522 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 68.7 ttt180 -61.63 -45.6 93.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.315 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.73 -28.79 69.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.592 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 45' ' ' LEU . 47.6 mt -62.91 -52.02 64.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.364 0.602 . . . . 0.0 110.145 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.76 -20.94 74.69 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.702 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.38 -38.36 74.71 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.16 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HD3' ' B' ' 46' ' ' LYS . 5.6 m -98.14 -19.82 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 111.349 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.45 38.11 2.89 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.82 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.9 mt -97.54 -27.45 14.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 110.127 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.4 tp -86.96 -17.07 33.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.71 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.35 142.42 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HE2' ' CB ' ' B' ' 74' ' ' ALA . 49.0 p90 -143.69 178.73 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 -171.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.21 133.78 23.48 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.39 139.31 51.03 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.969 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 p -92.34 171.22 9.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.779 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -56.31 -38.06 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.87 0.367 . . . . 0.0 111.304 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -67.37 -40.44 85.75 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.313 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.6 mt-10 -72.81 -28.73 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.64 -26.55 57.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.017 0.437 . . . . 0.0 110.257 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.99 -35.23 76.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.078 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -84.22 -23.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.91 0.385 . . . . 0.0 111.263 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.3 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.182 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.032 0.444 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.11 167.55 10.58 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.057 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 19' ' ' LEU . 39.1 mt -76.12 177.94 6.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 111.451 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.466 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.4 mmmm -84.91 -55.19 4.2 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.6 m -84.82 126.44 33.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.127 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -62.93 -35.23 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.405 ' O ' HD12 ' B' ' 53' ' ' ILE . . . -60.88 -36.43 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.627 177.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.11 -43.87 20.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.842 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.8 t70 -56.66 -34.88 67.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.38 -52.68 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.223 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.4 mp -67.09 -40.99 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.888 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.87 -36.97 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.052 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 72.1 mm-40 -83.26 -19.87 35.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.994 0.426 . . . . 0.0 110.457 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -110.77 30.57 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -146.13 85.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.219 0.533 . . . . 0.0 111.181 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.7 67.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 59' ' ' GLU . 1.4 pm0 -77.7 -20.33 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 tp -85.54 -45.91 11.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -56.09 -28.94 59.7 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.942 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.3 pt-20 -74.45 -24.06 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.693 -177.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.56 -33.44 47.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.037 0.446 . . . . 0.0 110.162 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.76 11.06 2.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.346 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.62 -9.38 23.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 109.883 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 90.2 m-85 -88.59 122.53 32.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.565 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.31 -23.46 67.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.928 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -67.24 -48.26 68.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' B' ' 119' ' ' ILE . 55.8 t -60.12 -57.84 9.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.769 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 24.3 mtpp -53.11 -37.14 61.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.375 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.07 -53.02 60.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.4 -36.01 82.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.975 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.64 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.1 mt -73.26 -33.23 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.52 -32.43 73.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 0.0 110.774 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -62.81 -31.95 73.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.031 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.64 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -83.29 -30.8 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 20.4 t80 -60.37 -36.34 77.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 97.3 mtt180 -58.46 -34.3 70.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.308 0.575 . . . . 0.0 110.563 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -71.62 -46.41 62.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.01 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.522 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -71.18 -15.77 62.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.455 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.403 HD12 ' C ' ' B' ' 96' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.11 -30.49 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.755 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.572 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -58.06 -38.99 77.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.901 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.15 -55.83 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.037 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.87 -36.31 74.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.659 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.49 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.28 -49.49 75.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.722 178.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 98' ' ' LYS . 61.0 t -61.91 -36.19 72.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.531 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.14 -29.6 65.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.101 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.3 -48.49 19.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.898 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.2 mm? -62.26 -25.29 67.75 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.005 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.73 -14.24 62.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.521 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.2 p -97.93 -10.85 23.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.205 0.526 . . . . 0.0 109.657 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.3 mm? -100.11 -23.14 14.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.094 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -72.6 149.7 43.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.091 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -46.3 110.99 0.32 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.732 0.645 . . . . 0.0 111.443 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.61 -10.81 11.32 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.49 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.11 -173.81 46.4 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.778 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 23.2 pt -82.25 -41.65 18.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.951 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -121.7 45.42 2.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.8 OUTLIER -74.95 148.29 40.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.588 -174.427 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.528 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -126.51 138.93 53.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.281 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.44 -23.66 63.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.365 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.85 65.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.682 HG21 ' HB3' ' B' ' 108' ' ' LEU . 23.7 mm -75.23 -39.14 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 14.4 tp10 -60.18 -51.36 69.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.208 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.44 -40.39 90.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.473 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.73 -56.09 20.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 62.0 m -55.16 -50.21 69.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.535 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 77.6 mm-40 -64.44 -57.08 10.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.732 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 74.7 mt -57.44 -41.02 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.928 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -69.83 -61.08 1.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.122 -177.246 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.404 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.5 pp -60.51 -28.28 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.633 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 20.6 t70 -57.49 -47.26 82.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 0.0 110.551 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' B' ' 53' ' ' ILE . 53.5 mmtt -77.81 -28.71 50.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.276 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' GLN . 89.4 mt -69.41 -32.92 72.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.642 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -85.84 -10.47 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.034 0.445 . . . . 0.0 110.435 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.237 178.388 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -32.42 103.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.55 3.5 . . . . 0.0 114.331 -172.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 65.99 87.64 0.12 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.695 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.0 mmm -69.69 -171.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.1 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -55.49 133.65 50.21 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.709 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.14 -178.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.367 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -111.39 11.48 21.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.172 0.51 . . . . 0.0 110.279 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.2 pt-20 -60.05 -49.67 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.754 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.792 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 8.5 m-80 -57.82 -41.92 83.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -55.91 -47.29 77.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.74 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.525 ' NE2' HD22 ' B' ' 130' ' ' LEU . 6.1 mt-30 -70.52 -38.94 74.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.9 mp -54.13 -43.13 70.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.28 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 58.3 mt -61.96 -51.54 67.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.438 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -69.73 -28.0 65.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.764 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.662 ' CD2' HD11 ' B' ' 126' ' ' LEU . 64.5 t80 -61.01 -57.24 13.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.787 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 72.9 mt -59.21 -35.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.655 0.74 . . . . 0.0 110.299 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 59.3 ttt180 -60.62 -43.01 97.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.133 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 52.9 mt-10 -66.11 -35.21 79.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.045 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 15' ' ' PHE . 9.7 mp -54.09 -51.7 63.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.96 0.41 . . . . 0.0 110.548 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.54 -17.19 77.75 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.234 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.03 -30.62 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 111.08 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG23 ' HG ' ' A' ' 24' ' ' LEU . 23.1 m -101.58 -17.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.61 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.14 32.23 3.83 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.844 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.8 mt -101.41 -6.69 23.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.006 0.431 . . . . 0.0 110.164 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 22.7 tp -105.99 -4.22 20.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.485 0.659 . . . . 0.0 110.706 -175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.03 142.69 45.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.575 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.647 ' HB3' ' HG2' ' B' ' 70' ' ' LYS . 55.1 p90 -152.97 172.41 16.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 111.929 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 134.11 22.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.963 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.2 mt -117.9 135.07 54.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.911 0.386 . . . . 0.0 111.11 -177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -83.38 168.99 16.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -52.75 -44.07 66.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.02 -40.58 96.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.2 mt-10 -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.66 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -76.28 -29.49 57.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.223 0.535 . . . . 0.0 110.249 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.8 -34.33 69.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.233 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.98 -25.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 111.169 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 60.9 mt -94.85 -53.64 3.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.533 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.43 -28.31 26.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.46 -6.03 74.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.835 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.204 -0.903 . . . . 0.0 109.402 -179.206 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.511 0.196 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -100.89 -163.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 0.0 110.89 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 3.1 mptt -72.44 173.5 8.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.333 0.587 . . . . 0.0 111.249 -175.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.01 159.61 26.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.112 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 mt -74.01 171.86 12.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.338 0.589 . . . . 0.0 111.104 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -96.3 -36.59 10.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.121 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -93.65 124.52 37.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.869 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -65.14 -34.25 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.78 78.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -83.68 -41.04 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -55.14 -34.03 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.04 -50.9 63.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.049 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.2 mp -65.96 -47.32 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -55.67 -31.01 62.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.88 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.0 mm-40 -90.42 -22.13 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -107.75 26.44 10.31 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.7 m -147.08 88.3 1.72 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.162 0.506 . . . . 0.0 111.195 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.797 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 3.6 pm0 -68.73 -22.48 64.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.95 -37.64 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.501 ' HG3' ' NZ ' ' B' ' 65' ' ' LYS . 43.8 tp60 -72.92 -33.23 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.42 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.25 -36.75 83.83 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.375 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 68.9 mt -68.18 -38.2 81.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.193 0.521 . . . . 0.0 110.434 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 31.4 tp -70.99 -9.12 57.43 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.301 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.501 ' NZ ' ' HG3' ' B' ' 61' ' ' GLN . 60.9 mttp -79.43 -24.66 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -72.04 128.34 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -64.55 -24.32 67.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -70.75 -38.31 73.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.497 0.665 . . . . 0.0 109.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.547 ' HA ' HD11 ' B' ' 119' ' ' ILE . 72.8 t -69.06 -57.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.856 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.647 ' HG2' ' HB3' ' A' ' 27' ' ' TYR . 4.1 tppp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 37' ' ' LEU . 40.8 t80 -61.86 -50.86 70.54 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -67.64 -27.71 67.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.424 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.484 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.9 mt -75.96 -28.3 57.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.422 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -69.62 -30.13 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.553 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.07 -39.2 81.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.484 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.3 m -84.1 -28.72 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.944 -176.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -61.14 -33.32 73.21 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -58.02 -38.62 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.118 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 68.6 mt -69.75 -49.43 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.602 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.7 mm? -64.93 -18.48 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.059 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -89.23 -31.41 17.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 9.5 p -174.1 145.48 1.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.774 0.321 . . . . 0.0 111.287 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.72 ' HB ' ' OE1' ' B' ' 97' ' ' GLN . 14.6 t -89.89 -21.69 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.096 0.475 . . . . 0.0 109.88 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.61 163.32 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.708 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -90.08 14.73 11.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.53 0.681 . . . . 0.0 110.678 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -89.58 -39.03 13.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.128 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.2 -91.12 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.203 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 94.3 p 59.01 161.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.742 1.217 . . . . 0.0 112.659 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t 68.99 91.79 0.09 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.811 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.52 -64.41 0.5 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -136.71 2.55 2.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.535 0.684 . . . . 0.0 110.285 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.503 ' HA ' ' CE ' ' B' ' 92' ' ' MET . 3.2 mmt -151.27 -149.93 0.32 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.413 -1.267 . . . . 0.0 107.861 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' B' ' 92' ' ' MET . 5.1 t30 77.18 -28.09 0.17 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.46 0.475 . . . . 0.0 111.29 174.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' SER . . . . . 0.405 ' H ' ' C ' ' B' ' 92' ' ' MET . 16.3 m -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.865 0.466 . . . . 0.0 111.916 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.18 -28.36 64.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.682 0.753 . . . . 0.0 109.468 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -39.03 61.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.099 174.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.72 ' OE1' ' HB ' ' B' ' 83' ' ' THR . 16.2 mm100 -60.79 -30.77 70.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.471 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.8 mptt -52.61 -44.36 65.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.813 174.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -65.55 -51.94 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.18 -31.54 70.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.641 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -69.19 -48.76 61.22 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.564 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 98' ' ' LYS . 96.8 t -59.41 -35.75 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.691 0.281 . . . . 0.0 110.314 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -52.37 -35.24 50.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.421 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.2 m-85 -74.64 -51.57 14.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.65 -25.76 68.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.583 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.48 -23.46 66.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.698 0.285 . . . . 0.0 111.13 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.7 p -96.56 -4.58 41.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.163 0.506 . . . . 0.0 110.027 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.7 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -104.53 -24.28 13.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.677 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.4 ' HG2' ' SG ' ' B' ' 123' ' ' CYS . 30.9 mtp180 -82.16 -177.66 6.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.321 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -55.29 122.97 12.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.239 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.81 22.64 52.57 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.284 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.9 -159.51 32.33 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.646 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 pt -105.38 -42.43 7.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 120.8 0.333 . . . . 0.0 111.283 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -122.25 45.89 2.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -75.33 151.53 38.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.041 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.76 142.26 51.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.601 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.38 -36.14 79.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.993 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.83 -24.19 48.75 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.7 HG21 ' HB3' ' B' ' 108' ' ' LEU . 32.1 mm -80.08 -40.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 2.4 tm-20 -56.19 -52.18 65.35 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.09 -37.4 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 43.1 t80 -53.51 -54.24 40.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.603 0.24 . . . . 0.0 110.441 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' B' ' 109' ' ' ARG . 28.1 p -66.79 -38.25 86.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.799 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 77.9 mm-40 -62.88 -53.2 57.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.636 0.255 . . . . 0.0 111.216 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 59' ' ' GLU . 74.3 mt -62.96 -41.68 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.662 HD11 ' CD2' ' A' ' 15' ' ' PHE . 1.2 tt -60.96 -61.54 2.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.352 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.02 -25.87 68.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.21 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 35.6 t70 -55.23 -51.25 67.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.423 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.556 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.3 mmtt -76.35 -29.42 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.169 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.525 HD22 ' NE2' ' A' ' 11' ' ' GLN . 85.7 mt -64.19 -31.78 73.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.343 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -89.9 -18.52 25.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.349 . . . . 0.0 110.748 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -92.0 5.98 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.376 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.15 -12.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.782 0.801 . . . . 0.0 109.628 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -76.46 68.15 2.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.326 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.782 176.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.29 114.28 1.87 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.898 2.398 . . . . 0.0 112.393 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -76.37 90.76 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.412 0.625 . . . . 0.0 110.107 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -93.67 176.25 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.149 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -82.86 133.71 35.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.054 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.18 -162.24 0.79 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -113.45 32.01 6.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.361 0.6 . . . . 0.0 109.494 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.487 -178.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.796 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 m-80 -59.28 -40.97 87.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -55.56 -35.28 65.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.918 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 11' ' ' GLN . 6.9 mt-30 -79.6 -41.0 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.135 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 126' ' ' LEU . 8.5 mp -57.15 -42.66 81.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 177.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 77.5 mt -58.39 -51.32 70.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.816 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.1 m-20 -71.82 -26.02 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.043 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' B' ' 126' ' ' LEU . 50.3 t80 -63.57 -52.34 61.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.1 -36.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.377 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 49.4 ttt180 -63.23 -49.36 74.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.796 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 64.9 mt-10 -63.44 -38.76 92.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 110.209 177.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.03 -51.87 54.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.723 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.32 -31.53 68.7 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.996 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.75 -30.72 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.948 0.374 . . . . 0.0 111.713 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' GLU . 18.9 m -98.1 -9.39 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 0.0 110.888 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.55 7.98 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.099 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 87.5 mt -98.75 -18.3 18.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.406 0.622 . . . . 0.0 109.943 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 73' ' ' LEU . 56.6 tp -99.0 -8.33 25.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.375 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.11 144.25 57.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -145.41 175.55 10.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.728 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -146.28 124.98 12.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -106.17 130.27 54.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.53 . . . . 0.0 111.935 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -85.82 175.69 8.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.16 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.05 -39.71 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -67.83 -42.43 81.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.69 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.2 mm-40 -65.59 -30.77 71.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.48 -28.07 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.153 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.39 -34.82 73.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.16 -23.61 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 52.3 mt -94.9 -55.83 2.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.142 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -99.74 -34.1 10.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.656 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.74 1.67 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -168.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.754 174.097 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -129.83 -165.48 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.715 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -69.7 169.52 12.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.383 0.611 . . . . 0.0 110.928 -176.219 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -115.29 170.45 8.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.295 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.64 174.04 11.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.085 0.469 . . . . 0.0 110.677 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.42 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 18.5 mtpp -92.57 -36.77 12.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.333 -173.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -92.28 125.2 36.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.25 -33.94 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.94 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -80.79 -44.62 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.431 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 31.5 t70 -55.77 -33.2 64.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.052 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -56.91 -48.19 78.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.164 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.21 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.5 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 42.8 t80 -60.39 -26.74 66.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.003 -177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.1 mm-40 -94.57 -17.01 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.25 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.7 m -108.62 87.35 2.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.446 0.641 . . . . 0.0 110.168 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.79 57.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.657 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' B' ' 125' ' ' ILE . 14.2 pt-20 -72.75 -19.93 61.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 109.853 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -77.27 -30.95 54.59 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 49.2 tp60 -76.03 -36.53 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.564 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.8 pt-20 -62.9 -28.78 70.29 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.652 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 48.3 mt -71.15 -36.05 71.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.308 0.575 . . . . 0.0 109.677 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 25.9 mt -77.7 14.62 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.629 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 50.4 mtpt -105.39 -11.18 16.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.532 . . . . 0.0 109.721 175.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.451 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 97.4 m-85 -89.04 131.27 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.03 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.4 -23.77 63.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.93 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.8 m -73.88 -34.23 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.597 0.713 . . . . 0.0 109.728 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' B' ' 118' ' ' ALA . 90.7 t -68.97 -60.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.525 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 36.0 mtpt -55.15 -37.84 67.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.211 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.7 -51.03 70.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.939 0.399 . . . . 0.0 111.388 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -66.32 -34.71 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.204 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.584 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.0 mt -75.65 -33.41 60.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.46 -30.56 70.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.736 0.303 . . . . 0.0 110.759 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -76.88 -31.3 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.259 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.4 t80 -56.17 -41.33 75.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 32.6 mtm180 -61.82 -34.76 76.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -67.25 -45.2 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.01 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -63.73 -24.1 67.64 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.977 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' B' ' 82' ' ' SER . 22.8 t -76.54 -50.6 13.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' SER . . . . . 0.491 ' HB2' ' O ' ' B' ' 81' ' ' SER . 13.3 t 172.75 138.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.928 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.519 ' HB ' HE22 ' B' ' 97' ' ' GLN . 12.1 t -89.17 -11.81 42.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.447 HG13 HG23 ' B' ' 83' ' ' THR . 15.0 m -131.11 161.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.721 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -85.11 43.45 1.01 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.227 0.537 . . . . 0.0 110.871 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.42 -72.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.879 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.3 75.32 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.742 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.9 m -65.03 137.0 57.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 17.9 p -87.88 12.17 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.943 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.43 0.92 88.65 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.546 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 64.28 20.96 12.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 122.967 0.507 . . . . 0.0 111.791 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 44.2 mtm -118.3 -11.49 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.845 0.355 . . . . 0.0 110.693 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -63.37 -39.63 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.722 -179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -63.7 -33.28 75.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 18.4 t70 -69.57 -30.47 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.5 OUTLIER -80.67 -31.52 36.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.172 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.3 mm100 -63.48 -24.41 67.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.518 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.4 mptt -51.2 -52.54 43.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.976 173.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -51.84 67.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.986 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.51 -34.59 78.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -66.39 -44.87 81.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.594 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 64.4 t -60.75 -35.36 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.753 0.311 . . . . 0.0 110.465 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.2 -29.61 61.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.584 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 5.2 m-85 -81.6 -42.2 20.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 105' ' ' LEU . 3.7 mm? -64.68 -31.46 72.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.487 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.28 -31.68 72.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.984 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.2 p -88.61 -6.55 57.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.137 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.582 ' HB3' HG21 ' B' ' 119' ' ' ILE . 74.5 mt -107.2 -18.31 13.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.394 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -79.6 172.66 13.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.18 137.46 57.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.332 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.52 39.62 14.4 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.791 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.74 -151.17 13.54 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.7 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -116.63 -39.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.669 0.271 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -131.75 46.52 2.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 4.2 p90 -81.13 151.23 28.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.962 -171.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.53 140.35 52.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.493 -177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.43 -31.68 71.62 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.953 -170.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -73.89 -27.46 61.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.833 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' B' ' 108' ' ' LEU . 30.5 mm -77.21 -38.22 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tm-20 -59.73 -51.59 69.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.463 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.31 -36.68 83.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -51.79 -53.58 38.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.833 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 65.0 m -59.31 -45.78 90.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.528 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 34.6 mm-40 -62.17 -55.11 31.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.533 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.565 HG21 ' HG3' ' B' ' 59' ' ' GLU . 77.1 mt -62.82 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 12' ' ' LEU . 39.6 tp -70.8 -51.06 29.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.656 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.422 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.1 pp -65.22 -26.87 68.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.23 -54.77 39.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -80.87 -24.11 38.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 38.9 mt -71.12 -25.63 62.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.235 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.403 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 42.4 m-80 -95.96 -20.47 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.85 0.357 . . . . 0.0 111.006 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.05 0.11 52.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 8.1 p -95.61 -25.83 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.203 0.525 . . . . 0.0 109.843 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' B' ' 131' ' ' ASN . 39.4 mtmt -88.58 87.04 7.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.187 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.77 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.15 117.13 4.72 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.578 2.186 . . . . 0.0 112.324 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 56.14 86.39 0.06 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptm -109.62 167.67 9.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.44 145.26 50.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.15 107.39 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.969 0.793 . . . . 0.0 111.265 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 35.5 m-20 -103.02 8.5 38.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.382 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.1 pt-20 -52.18 -48.41 65.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.317 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 p30 -57.61 -40.6 79.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.596 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -65.94 -37.32 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 0.0 110.273 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 57.7 mt-30 -71.89 -37.71 70.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.102 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.7 mp -54.45 -44.22 72.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.668 174.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 56.7 mt -58.54 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.149 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -37.79 80.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.4 t80 -63.8 -54.58 32.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.353 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 19' ' ' LEU . 69.1 mt -58.76 -38.89 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.483 0.658 . . . . 0.0 110.519 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -61.21 -46.5 90.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.94 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.43 -29.44 69.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.311 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 82.8 mt -57.73 -49.43 76.57 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 121.09 0.472 . . . . 0.0 109.862 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.43 -23.52 77.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.886 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.02 -44.95 71.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.658 0.266 . . . . 0.0 111.318 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.3 m -91.96 -19.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.152 0.501 . . . . 0.0 110.84 -175.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.69 38.13 3.05 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.543 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HG ' HG23 ' A' ' 22' ' ' VAL . 91.6 mt -96.28 -30.01 13.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.812 0.815 . . . . 0.0 109.235 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 73' ' ' LEU . 28.9 tp -86.27 -12.92 48.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.499 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 9.8 pt-20 -60.6 136.45 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.814 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 36.9 p90 -146.12 177.82 8.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.173 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -152.9 110.46 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 82.7 mt -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.721 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -82.74 170.23 15.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.732 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -53.32 -43.13 67.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.665 0.269 . . . . 0.0 111.349 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.7 -41.69 75.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.564 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 mt-10 -63.84 -28.21 69.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -81.19 -29.58 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 32.4 t70 -70.21 -30.61 67.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.148 -176.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.9 m -83.9 -27.93 7.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.873 0.368 . . . . 0.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.2 mt -91.79 -53.26 4.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -176.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.59 -21.5 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.223 0.535 . . . . 0.0 109.968 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 35' ' ' ASP . . . -72.93 -9.98 76.65 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.674 176.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.001 177.016 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.238 0.542 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.87 -155.26 0.55 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.152 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -89.23 -175.48 4.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.634 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.436 HG23 ' NE2' ' B' ' 55' ' ' GLN . 3.8 m -135.75 150.95 49.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.452 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -69.3 167.97 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.982 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -98.18 -37.18 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.591 -173.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -91.47 121.44 33.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.986 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 15.0 tppt? -64.18 -32.63 74.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.427 -176.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.69 70.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -94.07 -36.66 12.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' B' ' 45' ' ' LEU . 22.9 t70 -55.41 -34.89 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.99 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -51.78 -51.01 59.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.869 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.47 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.1 mp -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.584 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HD22 ' A' ' 24' ' ' LEU . 33.5 t80 -59.48 -37.55 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.436 ' NE2' HG23 ' B' ' 44' ' ' THR . 56.2 mm-40 -86.86 -29.47 22.16 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.031 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.39 10.17 23.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.896 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -138.11 103.25 4.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.378 0.608 . . . . 0.0 110.785 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -23.68 52.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 26.2 mt-10 -68.1 -44.32 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.817 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.29 -36.0 80.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.486 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -64.41 -41.22 96.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.5 pt-20 -72.7 -22.76 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.832 0.349 . . . . 0.0 111.404 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.442 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -72.29 -31.64 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.791 0.329 . . . . 0.0 110.555 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.497 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 22.4 mt -77.86 16.78 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -104.6 5.69 33.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.098 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.633 ' O ' HG22 ' B' ' 69' ' ' VAL . 73.7 m-85 -110.8 115.38 29.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 79.5 m-20 -59.41 -29.67 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.568 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 54.0 m -59.62 -41.56 90.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.218 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -82.06 -38.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.048 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.497 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 48.0 mtpt -65.98 -33.38 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.343 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.441 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 40.7 t80 -56.04 -47.25 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.863 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.526 ' CG ' HD11 ' B' ' 108' ' ' LEU . 53.5 m80 -73.68 -38.68 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.203 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.616 ' O ' HG22 ' B' ' 76' ' ' VAL . 88.2 mt -65.43 -36.56 84.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.14 -23.84 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.451 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 45.1 mtpt -71.94 -30.82 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.9 m -79.59 -29.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.109 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -60.74 -33.03 72.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.077 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 79.5 mtt180 -62.07 -38.4 88.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.052 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.26 -50.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.31 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.43 -20.48 66.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.609 0.242 . . . . 0.0 111.214 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.2 m -81.35 -50.49 9.43 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 70.5 p 174.16 112.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.122 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.498 ' HB ' HE22 ' B' ' 97' ' ' GLN . 15.1 t -71.86 -24.99 61.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.579 176.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.426 HG13 HG23 ' B' ' 83' ' ' THR . 13.5 m -130.16 163.41 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.13 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -85.32 29.97 0.64 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.287 -176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -127.85 -77.13 0.57 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 105.32 0.37 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.197 -175.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 93' ' ' ASN . 28.9 m -74.81 117.67 16.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.846 0.355 . . . . 0.0 111.3 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m 66.6 -178.76 0.2 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.35 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.86 -49.55 1.48 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.651 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -88.61 3.18 51.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.232 0.539 . . . . 0.0 111.343 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.417 ' HB3' ' H ' ' B' ' 93' ' ' ASN . 4.4 mpp? -124.91 -166.62 1.55 Allowed 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.407 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 3.6 t30 78.3 -35.41 0.19 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.885 0.874 . . . . 0.0 110.304 -175.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -67.23 -31.79 72.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.73 -24.28 41.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.757 0.789 . . . . 0.0 109.072 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -39.46 67.56 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.462 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.706 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.82 -29.76 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.304 177.507 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.509 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.5 mptp? -53.54 -54.31 39.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.311 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.04 -50.9 71.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -38.2 84.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.587 0.232 . . . . 0.0 111.344 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.517 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.08 -47.24 80.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.35 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.57 -37.05 76.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.882 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 10.9 m-80 -61.02 -25.35 66.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.542 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.04 -44.15 40.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -60.88 -24.36 65.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 110.737 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ASN . . . . . 0.45 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 13.2 m120 -60.68 -25.9 66.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -97.5 -1.8 43.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.117 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -105.04 -15.05 15.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.308 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -91.96 169.06 10.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.287 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -54.03 121.94 9.1 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.439 0.462 . . . . 0.0 111.101 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.05 15.56 28.03 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.526 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.78 -133.43 4.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.32 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.514 HG13 ' H ' ' B' ' 114' ' ' HIS . 5.5 pt -130.38 -54.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.964 0.412 . . . . 0.0 110.738 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.514 ' H ' HG13 ' B' ' 113' ' ' ILE . 28.7 m170 -117.62 46.03 1.82 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.499 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 5.3 p90 -74.98 149.08 39.43 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.561 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' B' ' 119' ' ' ILE . 12.9 m120 -110.51 133.02 53.67 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.295 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.9 OUTLIER -64.32 -25.2 67.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.442 -178.293 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.749 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -74.77 -36.51 62.56 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.796 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' B' ' 108' ' ' LEU . 38.4 mm -68.16 -37.53 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.702 0.287 . . . . 0.0 110.925 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tp10 -58.41 -51.49 69.59 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -67.4 -34.79 77.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 65.2 t80 -52.61 -50.85 62.24 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 67.5 m -58.6 -48.7 80.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.126 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 82.9 mm-40 -63.66 -53.78 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.283 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.41 -37.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 110.702 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 130' ' ' LEU . 0.8 OUTLIER -65.67 -62.45 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.732 0.777 . . . . 0.0 110.155 179.076 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.14 -27.35 68.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.102 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 9.9 t70 -54.23 -50.09 67.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.365 0.602 . . . . 0.0 109.938 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.47 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.0 mmtp -78.67 -27.41 45.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.326 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 126' ' ' LEU . 74.4 mt -63.18 -30.6 71.71 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 173.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.446 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 37.4 m-80 -94.83 -15.82 23.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.03 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.69 -4.52 57.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.211 0.529 . . . . 0.0 111.34 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.45 -22.2 4.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.706 0.765 . . . . 0.0 109.681 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' B' ' 131' ' ' ASN . 39.4 mtmt -81.89 104.9 12.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.165 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.06 146.38 70.5 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.703 2.269 . . . . 0.0 112.021 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 4' ' ' MET . 87.2 m-70 -82.7 112.13 19.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.773 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 88.5 mtp 70.98 162.28 0.24 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.91 0.756 . . . . 0.0 110.942 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -71.32 138.08 48.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.35 -178.45 2.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.075 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 27.0 m-80 -100.54 12.83 36.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.635 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -55.14 -52.71 62.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.812 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.0 p30 -58.04 -36.58 72.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -58.83 -48.87 79.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 0.0 110.012 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 20.8 mt-30 -62.81 -42.87 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.297 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 8' ' ' GLU . 3.2 mp -54.81 -41.17 70.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.848 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 89.0 mt -64.8 -48.87 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.239 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -68.02 -27.8 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.32 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' B' ' 126' ' ' LEU . 57.0 t80 -61.61 -59.43 5.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -53.53 -41.02 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.858 0.837 . . . . 0.0 110.257 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 45.3 ttt180 -58.13 -43.89 87.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.183 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -72.36 -31.72 65.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.816 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD12 HD21 ' B' ' 45' ' ' LEU . 9.9 mp -57.82 -49.29 77.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.615 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.19 70.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.5 -31.31 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.71 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' HG ' ' A' ' 24' ' ' LEU . 7.0 m -111.08 7.1 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.359 -176.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.06 32.34 39.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.221 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 54' ' ' TYR . 95.6 mt -102.29 1.82 36.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.5 . . . . 0.0 110.607 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' B' ' 73' ' ' LEU . 54.5 tp -117.79 -4.89 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.856 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.59 145.55 53.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 111.441 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -148.67 177.45 9.49 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.483 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.46 104.16 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 33' ' ' GLU . 50.3 mt -81.12 137.19 35.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.434 -173.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 p -82.61 174.99 10.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.723 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -56.24 -38.47 71.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.725 0.298 . . . . 0.0 111.21 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.63 -42.69 64.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.9 mt-10 -63.64 -28.31 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.33 -31.68 38.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.344 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.49 -32.78 73.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.342 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.46 -24.69 7.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.436 . . . . 0.0 111.311 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 71' ' ' PHE . 61.8 mt -94.79 -54.06 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.97 -17.95 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 0.0 110.871 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.53 2.18 83.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.354 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.532 179.728 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.053 0.454 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -119.81 -155.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.706 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.645 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -76.1 170.25 16.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.357 179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -114.38 163.86 14.74 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 19' ' ' LEU . 51.0 mt -80.47 173.78 12.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.014 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -80.3 -54.34 5.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.408 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -83.39 130.05 35.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.953 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -70.15 -33.19 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.3 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.62 -9.29 48.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -106.06 -43.48 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.573 0.701 . . . . 0.0 109.493 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 24.8 t70 -56.7 -42.85 79.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.069 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.09 -35.93 76.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.462 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.5 mt -70.4 -44.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.697 0.284 . . . . 0.0 110.624 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 24' ' ' LEU . 49.1 t80 -60.71 -25.59 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 32.3 mm-40 -87.28 -27.23 23.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.268 0.556 . . . . 0.0 110.465 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -103.03 31.54 4.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.523 ' HB2' ' CB ' ' B' ' 60' ' ' LEU . 22.8 p -136.26 78.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.172 0.51 . . . . 0.0 111.192 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.73 65.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 9.0 mm-40 -80.24 -30.17 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' ' 122' ' ' PHE . 30.6 tp -83.77 -45.45 13.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.03 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 48.4 tp60 -58.35 -26.35 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 9.7 pt-20 -73.54 -19.74 60.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.902 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.99 -35.76 25.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.2 mm? -70.29 -4.2 20.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.345 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 59.1 mtpt -81.11 -19.55 43.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.037 0.446 . . . . 0.0 110.198 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -89.73 133.84 34.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.643 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -76.11 -22.33 55.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.575 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 37' ' ' LEU . 64.9 m -67.24 -37.96 84.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.88 0.848 . . . . 0.0 109.307 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' B' ' 118' ' ' ALA . 77.3 t -67.13 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.337 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -55.9 -33.05 64.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.096 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 37' ' ' LEU . 46.3 t80 -59.76 -55.16 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.413 ' CG ' HD11 ' B' ' 108' ' ' LEU . 24.0 m80 -68.7 -30.14 68.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 -176.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.642 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.9 mt -71.54 -36.54 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.467 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.26 -32.11 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.032 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -63.24 -32.18 73.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.642 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.7 m -82.1 -28.64 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.809 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 18.1 t80 -60.4 -31.43 70.36 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.185 177.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.871 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 60.1 mt -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.335 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -69.65 -14.68 62.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.489 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p -91.79 26.0 2.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.921 0.391 . . . . 0.0 110.305 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 27.5 t 74.26 159.53 0.22 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.026 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 12.2 t -74.99 -12.09 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -132.42 164.11 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.575 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -86.44 23.63 1.57 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.122 0.487 . . . . 0.0 111.249 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.84 -47.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.484 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.0 -34.68 5.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.032 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 51.0 p 49.24 99.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.129 0.972 . . . . 0.0 112.518 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.8 t -114.54 103.22 10.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.433 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.49 -60.4 0.19 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.696 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 92' ' ' MET . 22.5 pttp -106.55 42.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.9 0.381 . . . . 0.0 110.791 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 91' ' ' LYS . 4.1 ptp 59.37 155.9 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.792 1.237 . . . . 0.0 113.215 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.66 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 3.1 t-20 179.89 -51.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.397 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 30.5 p -57.7 -36.42 71.96 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 26.6 t70 -81.8 -24.98 35.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.784 0.326 . . . . 0.0 110.753 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.1 pp -75.06 -30.4 61.0 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.1 mm100 -62.03 -31.83 72.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.975 174.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.589 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.6 mptt -53.53 -47.48 69.92 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.476 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.02 -50.11 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.642 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -68.66 -43.63 75.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.495 176.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 98' ' ' LYS . 99.5 t -59.7 -38.21 74.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.31 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.431 ' O ' HD23 ' B' ' 108' ' ' LEU . 3.7 m-85 -74.63 -49.84 19.99 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.606 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' B' ' 108' ' ' LEU . 3.3 mm? -62.78 -25.27 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.58 -14.31 62.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.288 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.4 p -103.88 -3.44 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.118 0.485 . . . . 0.0 109.887 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.67 ' HB3' HG21 ' B' ' 119' ' ' ILE . 3.9 mm? -101.98 -17.08 16.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.957 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -72.06 160.86 31.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.481 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -53.66 113.79 1.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.332 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.11 22.6 7.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.466 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.74 -155.98 30.01 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.082 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.93 -44.5 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -119.47 34.96 5.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.3 p90 -73.82 151.2 40.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.942 -172.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.513 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -119.31 137.6 53.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.27 -177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.78 -27.73 66.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.582 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -81.95 -32.24 30.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.268 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' B' ' 108' ' ' LEU . 28.1 mm -70.62 -37.7 70.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 110.698 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 18.7 tp10 -60.68 -45.89 92.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.135 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.529 ' CD1' HD11 ' B' ' 60' ' ' LEU . 78.4 t80 -50.48 -56.7 10.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.25 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.2 -37.81 88.81 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.966 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 79.4 mm-40 -65.84 -53.6 37.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.04 -37.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.337 0.589 . . . . 0.0 110.548 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -67.11 -63.34 1.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.848 -178.088 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.464 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.4 pp -61.69 -27.23 68.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.836 -172.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.1 t70 -53.25 -46.95 69.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.286 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' B' ' 53' ' ' ILE . 55.0 mmtt -84.23 -22.54 30.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.831 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.485 ' CD1' HD22 ' B' ' 126' ' ' LEU . 92.0 mt -71.33 -30.58 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.311 0.577 . . . . 0.0 110.358 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.502 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 12.2 m-80 -77.66 -24.8 49.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.217 0.532 . . . . 0.0 110.135 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.06 13.27 17.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.19 -0.913 . . . . 0.0 112.323 -175.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.3 p -113.47 -32.06 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.253 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' B' ' 131' ' ' ASN . 18.6 pttp -73.68 123.98 25.1 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 11.6 mptt . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.587 -0.72 . . . . 0.0 110.44 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.26 116.05 4.51 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.106 2.537 . . . . 0.0 112.125 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -79.17 99.06 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.59 30.61 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.168 0.508 . . . . 0.0 111.723 -172.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -137.7 144.81 41.94 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.495 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.87 33.77 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -91.86 -1.08 57.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 -173.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 12' ' ' LEU . 9.4 pt-20 -55.22 -42.82 73.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.542 172.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.829 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 37.9 m-80 -58.33 -39.41 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.429 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -54.16 -42.61 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.399 0.437 . . . . 0.0 110.807 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 11' ' ' GLN . 7.1 mt-30 -74.83 -39.87 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.7 mp -56.44 -42.1 77.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.997 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.829 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 62.2 mt -57.66 -53.78 54.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.248 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.8 m-20 -65.41 -34.99 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -59.61 -57.96 10.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.434 ' CG2' HD11 ' A' ' 25' ' ' LEU . 76.2 mt -58.9 -36.56 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.514 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 31.6 ttt180 -61.03 -42.64 98.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.02 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 60.2 mt-10 -62.0 -36.97 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.23 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.8 mp -55.0 -51.46 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 -25.5 73.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.237 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.42 -36.73 74.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.201 0.5 . . . . 0.0 111.104 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.1 m -95.5 -18.73 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.157 0.503 . . . . 0.0 110.723 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.89 5.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.201 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 22' ' ' VAL . 99.2 mt -88.45 -11.89 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.184 0.516 . . . . 0.0 110.049 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' B' ' 74' ' ' ALA . 6.9 mt -99.04 -10.97 21.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.814 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.42 121.45 7.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.871 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 53.7 p90 -130.88 170.95 13.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.216 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -150.2 117.17 5.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.0 mt -99.2 133.43 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.124 0.488 . . . . 0.0 111.46 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -93.38 171.72 8.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.267 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -54.62 -40.72 69.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.867 0.365 . . . . 0.0 111.455 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.35 -38.58 74.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.149 0.499 . . . . 0.0 110.388 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 mm-40 -71.03 -25.03 62.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.79 -31.95 31.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.67 -33.73 75.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.137 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.12 -21.53 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.223 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 53.5 mt -94.81 -55.02 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.2 0.524 . . . . 0.0 110.956 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -79.89 -19.4 48.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.718 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.01 -1.74 90.65 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.051 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.358 -179.622 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.406 ' HG3' ' OD1' ' B' ' 42' ' ' ASN . 21.8 ptp . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 111.506 0.188 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.406 ' OD1' ' HG3' ' B' ' 41' ' ' MET . 19.8 m120 -137.51 -165.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.205 0.526 . . . . 0.0 111.355 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.517 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -98.23 170.38 8.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.786 -175.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.409 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -108.68 170.22 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 44.8 mt -82.83 176.61 9.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.146 0.498 . . . . 0.0 111.625 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.06 -52.2 5.57 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.431 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -80.92 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.542 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -66.01 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -175.532 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.61 84.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -73.11 -47.56 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.111 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -55.97 -36.66 68.08 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.41 -49.25 72.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.157 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.93 -41.14 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.55 -33.36 71.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 74.9 mm-40 -85.69 -23.56 27.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -103.68 22.22 14.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.195 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -147.27 102.21 3.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.922 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -24.95 53.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.445 ' HG3' HG21 ' B' ' 125' ' ' ILE . 7.9 pt-20 -79.48 -20.16 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.374 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.48 -33.44 28.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -69.9 -41.77 74.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.07 -25.95 68.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.756 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 118' ' ' ALA . 52.4 mt -67.04 -28.77 68.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.69 -4.63 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.444 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -84.2 -12.82 54.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.0 110.077 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -89.37 126.95 35.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.832 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.25 -26.07 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.445 HG22 ' ND2' ' B' ' 116' ' ' ASN . 61.2 m -76.63 -35.69 57.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.703 0.764 . . . . 0.0 110.304 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 59.3 t -77.4 -53.91 13.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.484 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.555 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 35.4 ttpt -59.84 -32.59 70.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.581 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 62.9 t80 -59.96 -54.52 45.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 175.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -66.89 -29.21 69.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.886 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 76' ' ' VAL . 90.1 mt -71.78 -45.05 62.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.79 0.329 . . . . 0.0 110.661 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.654 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -66.35 -18.91 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.647 0.261 . . . . 0.0 111.482 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.7 mmmt -63.19 -37.53 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.474 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.6 m -79.98 -27.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.1 t80 -56.73 -40.87 76.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.003 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -61.29 -28.11 68.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.648 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -75.66 -41.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.994 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.544 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -71.94 -13.98 61.79 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.761 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.6 t -94.57 22.19 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.775 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t 71.97 133.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.541 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.6 t -64.3 -18.21 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.429 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 14.2 m -131.83 148.48 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.094 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -73.08 9.9 1.09 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.093 0.473 . . . . 0.0 111.691 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.58 -41.64 62.62 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.764 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.98 64.93 3.9 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.5 m -58.51 107.66 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.449 0.642 . . . . 0.0 110.731 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.0 m -104.58 133.38 49.54 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.576 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.39 2.18 63.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.251 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' B' ' 91' ' ' LYS . 0.0 OUTLIER -143.55 53.56 1.33 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.122 0.487 . . . . 0.0 110.463 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.512 ' CG ' ' HB3' ' B' ' 95' ' ' ASP . 50.4 ttm 58.65 -102.13 0.14 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.479 176.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.516 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 47.6 t30 66.57 -62.38 0.28 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.27 0.628 . . . . 0.0 112.281 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -57.42 -36.18 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.719 0.295 . . . . 0.0 111.001 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.512 ' HB3' ' CG ' ' B' ' 92' ' ' MET . 12.2 t70 -63.3 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.84 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -71.81 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.266 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.1 mm100 -62.53 -34.03 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.525 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.532 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.2 mptt -58.16 -44.73 88.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.506 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.24 -49.3 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.54 -34.94 76.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.83 -46.23 79.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.429 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 98' ' ' LYS . 85.6 t -59.97 -37.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.496 177.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -53.48 -39.94 64.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.201 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.535 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 2.7 m-85 -66.93 -48.75 67.64 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.78 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.585 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.1 mm? -61.84 -34.89 76.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.898 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -64.42 -31.38 72.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.674 0.273 . . . . 0.0 111.314 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -83.65 -8.99 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.636 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 81.6 mt -105.22 1.3 28.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.661 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 16.1 mmt180 -77.35 173.75 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -58.39 124.02 18.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.01 29.09 23.99 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.495 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.69 -153.09 28.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.081 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 pt -115.62 -48.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.567 0.222 . . . . 0.0 111.394 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.61 39.7 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.05 150.95 33.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.051 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.58 ' HB2' HG12 ' B' ' 119' ' ' ILE . 65.3 m-20 -117.69 136.44 53.34 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.706 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 10.8 pt-20 -57.05 -28.34 62.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.061 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -82.45 -22.56 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.496 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.58 HG12 ' HB2' ' B' ' 116' ' ' ASN . 22.9 mm -71.78 -41.57 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 9.5 tp10 -63.63 -44.32 94.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 78.2 mm-40 -59.36 -43.41 92.83 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.359 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -53.42 -53.79 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.011 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.04 -47.82 83.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.926 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 84.0 mm-40 -64.44 -50.48 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.895 -175.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' B' ' 59' ' ' GLU . 86.5 mt -62.51 -42.44 95.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.201 0.524 . . . . 0.0 110.553 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.431 HD23 ' HG ' ' A' ' 12' ' ' LEU . 52.9 tp -69.18 -51.56 36.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.707 -177.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.92 -27.61 68.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 110.05 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.68 -44.86 96.01 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -82.33 -28.27 31.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.65 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.29 -38.54 87.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.387 . . . . 0.0 110.573 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -82.2 -14.41 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.699 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.31 -0.69 56.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.705 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.83 -30.02 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.985 0.422 . . . . 0.0 110.869 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -86.77 85.97 7.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.574 0.702 . . . . 0.0 111.449 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.81 177.506 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.67 140.31 46.64 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.786 2.324 . . . . 0.0 111.913 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -73.16 100.97 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 45.4 mtm -89.49 135.28 33.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.181 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -78.26 126.15 30.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.34 165.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.396 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -116.51 0.18 12.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -58.83 -49.23 78.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 177.073 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.791 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 4.9 p30 -53.82 -41.47 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.393 0.433 . . . . 0.0 111.305 175.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -57.9 -39.6 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.786 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.91 -35.71 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.533 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 92.9 mt -57.97 -45.3 86.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.089 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -60.69 -52.06 66.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.474 -173.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.95 -23.29 63.16 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.178 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' B' ' 126' ' ' LEU . 49.2 t80 -67.02 -49.57 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.65 -34.52 62.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.746 0.784 . . . . 0.0 109.782 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.6 ttt180 -63.54 -47.76 80.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.55 -37.31 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.57 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 25' ' ' LEU . 4.7 tp -51.65 -56.59 12.78 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.091 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.61 -15.75 79.22 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -37.89 66.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.058 0.429 . . . . 0.0 110.978 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 24' ' ' LEU . 15.6 m -98.71 -16.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 37.07 3.99 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.81 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' B' ' 54' ' ' TYR . 94.8 mt -99.24 -4.48 31.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.551 0.691 . . . . 0.0 109.447 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' B' ' 73' ' ' LEU . 40.7 tp -115.49 -2.43 12.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.664 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.03 138.81 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.858 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.18 173.55 11.84 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.925 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.93 128.35 9.95 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.74 128.22 54.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -83.42 171.42 13.48 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.22 -39.65 72.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.222 0.465 . . . . 0.0 110.983 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -68.72 -41.55 78.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.45 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.85 -32.8 34.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.251 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 22.0 t70 -64.35 -31.68 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.298 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -82.0 -21.15 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.817 0.341 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' B' ' 71' ' ' PHE . 67.0 mt -94.49 -55.02 3.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.456 . . . . 0.0 111.12 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -83.2 -26.66 30.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.555 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 64.73 17.11 62.26 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.051 -0.977 . . . . 0.0 113.499 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.851 -0.595 . . . . 0.0 109.595 -177.436 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.404 ' N ' ' SD ' ' B' ' 41' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -100.12 -161.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.259 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.657 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -85.2 -179.12 6.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.777 -178.197 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.463 HG22 ' NE2' ' B' ' 55' ' ' GLN . 0.9 OUTLIER -136.55 163.03 31.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.44 177.532 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 56.7 mt -79.86 171.93 14.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.252 0.548 . . . . 0.0 110.609 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.92 -29.05 13.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.351 -173.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -96.01 125.36 40.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.815 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.935 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -7.3 43.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.54 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.51 -40.95 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.112 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -60.18 -37.64 80.83 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.309 -176.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -37.61 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.26 -40.25 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.948 0.404 . . . . 0.0 110.326 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 24' ' ' LEU . 56.7 t80 -62.4 -27.28 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.9 mm-40 -93.33 -33.88 13.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.643 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -80.2 -32.55 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.907 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -102.25 89.47 3.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.613 0.72 . . . . 0.0 110.367 -175.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.6 59.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.57 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.551 ' HG3' HG21 ' B' ' 125' ' ' ILE . 10.9 pt-20 -77.91 -18.87 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.52 0.676 . . . . 0.0 109.562 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.61 -33.18 36.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.655 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -72.64 -38.3 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.029 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 12.8 pt-20 -59.17 -30.26 68.05 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -71.73 -38.09 70.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.118 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.33 13.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.616 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.4 -7.11 26.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.097 0.475 . . . . 0.0 109.738 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.411 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 92.0 m-85 -96.14 126.29 41.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.39 -21.74 63.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.473 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -67.49 -47.29 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 109.091 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.484 HG13 HD13 ' B' ' 119' ' ' ILE . 97.2 t -60.16 -59.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.739 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -56.75 -33.85 66.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.08 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 37' ' ' LEU . 34.3 t80 -62.64 -51.43 67.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 111.096 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -65.97 -36.31 82.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.623 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.4 mt -70.43 -37.66 74.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.36 -29.32 69.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -63.94 -32.17 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.623 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -80.95 -32.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.7 t80 -58.6 -40.3 82.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.651 178.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 78' ' ' ARG . 20.5 mtm180 -61.42 -31.63 71.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.332 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -70.18 -49.11 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.416 HD22 ' O ' ' B' ' 76' ' ' VAL . 1.5 mm? -57.25 -26.6 61.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.671 0.272 . . . . 0.0 111.552 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p -89.73 -50.14 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' B' ' 84' ' ' VAL . 34.8 m -162.16 122.09 2.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.743 ' H ' HE22 ' B' ' 97' ' ' GLN . 8.2 t -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' B' ' 82' ' ' SER . 16.0 m -118.97 -175.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.023 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -77.2 11.45 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -172.95 -90.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.135 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.55 28.24 30.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.81 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -91.85 118.44 30.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.3 m -153.56 18.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.798 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.91 31.27 79.09 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.887 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -125.91 33.71 5.02 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 120.626 0.251 . . . . 0.0 110.406 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.45 ' SD ' ' HB2' ' B' ' 95' ' ' ASP . 30.9 ttm 70.42 -42.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 124.15 0.906 . . . . 0.0 112.635 176.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 38.8 t30 72.29 -62.9 0.45 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.851 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.9 t -58.42 -30.38 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.134 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.45 ' HB2' ' SD ' ' B' ' 92' ' ' MET . 19.5 t70 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.65 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -25.53 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.743 HE22 ' H ' ' B' ' 83' ' ' THR . 18.5 mm-40 -70.2 -24.42 63.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.609 ' O ' HG23 ' B' ' 102' ' ' VAL . 0.5 OUTLIER -57.81 -45.74 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.592 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -53.67 -59.33 4.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.112 0.482 . . . . 0.0 110.572 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.57 -32.99 73.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.069 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.479 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.02 -46.7 80.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.604 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.4 t -61.76 -34.22 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -57.97 -26.13 61.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.144 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -84.2 -39.99 18.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.576 0.226 . . . . 0.0 110.473 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.9 mm? -65.42 -31.75 73.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.388 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -58.78 -32.64 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -86.08 -1.59 57.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.72 0.295 . . . . 0.0 110.825 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' B' ' 119' ' ' ILE . 81.1 mt -113.63 0.44 14.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.459 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 21.4 mmm-85 -91.39 162.95 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.53 123.18 7.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.765 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.46 57.23 1.67 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.684 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.06 -168.85 11.39 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.57 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.53 -44.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -130.38 38.92 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -75.93 137.5 40.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.442 0.639 . . . . 0.0 111.066 -173.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.462 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.7 m120 -114.95 142.69 46.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.19 -0.913 . . . . 0.0 108.9 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.5 -27.8 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.777 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -71.53 -27.49 63.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.777 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' B' ' 108' ' ' LEU . 27.0 mm -75.79 -39.83 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 109.842 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.74 -43.72 79.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.968 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.43 -44.6 80.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.907 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 79.1 t80 -52.79 -56.76 13.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.235 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.8 m -55.95 -49.72 72.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -65.41 -56.31 13.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.733 -174.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 59' ' ' GLU . 84.6 mt -59.1 -41.17 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 110.814 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 15' ' ' PHE . 38.1 tp -70.56 -51.56 27.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.327 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.0 pp -65.64 -27.39 68.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.98 -48.46 78.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.099 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -80.09 -32.22 39.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.455 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 67.8 mt -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.24 -6.83 52.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.15 -8.98 58.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 111.12 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.28 -24.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.457 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 14.7 mmmm -61.06 130.6 47.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.733 178.736 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.79 129.93 3.6 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.652 2.235 . . . . 0.0 112.776 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 59.03 93.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.442 0.639 . . . . 0.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.5 ptm -89.27 147.56 24.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -80.61 136.86 36.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.94 -179.23 3.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -83.62 16.38 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' O ' HD13 ' A' ' 12' ' ' LEU . 8.6 pt-20 -60.21 -43.1 96.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.786 174.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 22.2 m-80 -60.51 -39.41 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.252 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.88 -43.69 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' HB3' HE21 ' A' ' 11' ' ' GLN . 7.5 mt-30 -70.84 -39.98 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.207 0.527 . . . . 0.0 109.97 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.8 mp -58.68 -42.85 89.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.101 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -59.01 -52.17 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.815 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.17 -28.75 66.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.233 0.539 . . . . 0.0 110.256 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 51.8 t80 -62.86 -52.78 61.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.034 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.5 -33.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.049 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 30.0 ttt180 -60.58 -49.98 75.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.752 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.1 mt-10 -70.17 -36.47 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.439 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.3 tp -51.86 -52.92 46.1 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.145 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -76.0 -19.91 78.21 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.914 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.18 -34.6 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' GLU . 30.9 m -92.68 -19.07 6.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.22 27.64 6.82 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.662 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD21 ' H ' ' B' ' 43' ' ' LYS . 82.1 mt -98.65 -13.7 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.529 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -97.78 -22.75 16.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.11 150.94 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.822 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -148.99 177.12 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.069 0.461 . . . . 0.0 111.501 -168.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.86 132.01 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' B' ' 71' ' ' PHE . 93.3 mt -116.82 132.54 56.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.983 0.42 . . . . 0.0 111.604 -176.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -81.25 169.43 17.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 174.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -53.51 -44.33 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.77 -44.01 94.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.628 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 mt-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -76.84 -28.86 55.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.127 0.489 . . . . 0.0 110.414 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.07 -32.17 66.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.66 -25.13 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.794 0.331 . . . . 0.0 111.576 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.7 mt -94.2 -51.43 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.65 0.262 . . . . 0.0 111.562 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -80.58 -34.22 35.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 0.0 109.635 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.52 -13.68 66.74 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.615 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.248 1.008 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.695 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.675 0.274 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -102.41 -165.5 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.563 ' H ' HD21 ' A' ' 24' ' ' LEU . 32.4 mmtt -76.87 -175.28 3.41 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.518 0.675 . . . . 0.0 110.793 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.07 163.57 33.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.973 174.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -77.64 170.03 17.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.021 0.439 . . . . 0.0 110.48 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -98.43 -31.34 12.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.264 -172.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -95.69 124.54 39.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.009 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.2 -32.69 73.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.28 62.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.98 -40.37 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.74 -35.56 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.193 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.92 -46.94 74.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.6 mp -67.26 -40.26 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.239 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.535 ' CE2' HD13 ' A' ' 24' ' ' LEU . 59.3 t80 -58.81 -38.51 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.409 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.06 -31.26 39.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.322 0.582 . . . . 0.0 110.979 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.31 29.78 3.44 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.549 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -147.31 82.94 1.55 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.214 0.53 . . . . 0.0 110.82 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.76 -27.52 65.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.464 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.3 pt-20 -70.06 -23.63 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.316 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.55 -45.51 12.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.573 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -59.04 -28.43 66.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.901 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.25 -23.34 60.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.404 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.436 HD11 HD12 ' B' ' 125' ' ' ILE . 78.6 mt -77.32 -27.27 52.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 109.65 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.73 5.61 17.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.768 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -91.32 -12.55 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.115 0.483 . . . . 0.0 109.733 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -87.29 124.81 33.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.606 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -73.36 -21.89 60.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.876 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 40.5 m -69.17 -46.3 67.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.646 0.736 . . . . 0.0 109.052 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.514 HG13 HD13 ' B' ' 119' ' ' ILE . 97.5 t -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.101 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -54.98 -34.61 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.794 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 29' ' ' LEU . 56.3 t80 -60.76 -50.44 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -69.38 -37.29 77.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.867 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.658 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.7 mt -67.46 -34.5 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.731 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.91 -30.54 71.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.857 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.417 ' O ' HG13 ' B' ' 79' ' ' ILE . 50.0 mtpt -66.43 -27.47 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.713 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.6 m -83.2 -33.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.6 t80 -59.99 -41.23 91.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.108 0.48 . . . . 0.0 109.935 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 96.9 mtt180 -57.89 -36.9 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.288 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 79.1 mt -64.06 -54.82 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.104 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.52 -30.21 62.78 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.776 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t -76.38 -51.67 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -175.13 116.07 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.919 0.487 . . . . 0.0 110.743 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.435 ' HB ' HE22 ' B' ' 97' ' ' GLN . 6.4 t -92.85 -25.1 18.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.13 158.35 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.27 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -95.46 29.88 2.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.185 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.47 -61.63 1.75 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.077 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.68 62.68 2.78 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.214 -0.993 . . . . 0.0 111.383 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -59.22 116.79 4.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.936 0.398 . . . . 0.0 110.432 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -102.72 -8.5 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.537 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.24 -27.86 10.41 Favored Glycine 0 C--N 1.316 -0.558 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.6 100.62 5.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 5.2 ptp -34.62 118.76 0.42 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.284 0.99 . . . . 0.0 112.78 -174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 0.2 OUTLIER -75.23 -27.58 59.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.953 -171.075 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 42.5 t -60.63 -44.66 96.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.29 -35.14 79.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.795 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.2 pp -77.04 -28.72 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.313 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 11.7 mm100 -61.01 -34.27 74.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.986 176.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.484 ' O ' HG23 ' B' ' 102' ' ' VAL . 14.2 mptt -62.22 -36.38 81.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.747 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.89 -57.59 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 109.784 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.38 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.937 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.538 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.13 -52.31 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 98' ' ' LYS . 75.2 t -61.28 -32.27 52.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.978 0.418 . . . . 0.0 110.783 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.1 -30.63 66.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.0 -42.18 27.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.804 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -61.6 -34.71 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.816 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ASN . . . . . 0.43 ' ND2' HG12 ' B' ' 102' ' ' VAL . 19.4 m-80 -61.37 -32.57 72.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.407 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -81.87 -6.25 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.632 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 89.6 mt -110.0 -2.82 16.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.801 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 58.7 mtp180 -109.79 -174.13 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.509 ' CE2' ' HG2' ' B' ' 120' ' ' GLU . 21.2 m-85 -51.76 116.72 2.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.76 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.28 32.57 7.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.655 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.78 -160.02 24.72 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.03 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 pt -115.45 -38.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 -176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -124.93 40.73 3.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.632 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -81.88 141.05 33.74 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.063 -170.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.501 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.3 m120 -116.84 147.77 41.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.12 -28.88 70.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.768 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.34 56.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' B' ' 108' ' ' LEU . 23.6 mm -69.58 -43.05 80.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.509 ' HG2' ' CE2' ' B' ' 110' ' ' TYR . 17.2 tp10 -63.64 -46.58 85.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.775 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -62.29 -37.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.538 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -52.15 64.77 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 60.7 m -59.05 -49.35 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.456 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 85.2 mm-40 -62.36 -52.89 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.551 -175.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' B' ' 59' ' ' GLU . 92.7 mt -65.11 -41.59 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.921 0.391 . . . . 0.0 111.328 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.4 tp -66.77 -51.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' B' ' 130' ' ' LEU . 2.0 pp -66.84 -26.62 67.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 25.4 t70 -54.54 -50.18 68.51 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.326 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.529 ' HB2' HG12 ' B' ' 53' ' ' ILE . 47.3 mmtt -79.29 -34.67 42.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.096 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' B' ' 127' ' ' LEU . 72.2 mt -64.51 -25.8 68.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -100.19 -11.38 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.765 0.317 . . . . 0.0 110.99 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.63 -5.26 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.33 0.586 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.67 -20.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.627 0.727 . . . . 0.0 109.997 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.8 71.52 7.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.113 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.777 177.014 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.87 15.02 1.18 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.872 2.381 . . . . 0.0 113.167 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 62.24 -172.72 0.15 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptm -141.17 -173.75 3.82 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.365 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.12 140.13 32.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.931 0.396 . . . . 0.0 109.941 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.4 169.66 9.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.852 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -75.54 2.16 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.653 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.19 -37.69 67.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.753 170.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.4 m-80 -60.94 -29.72 69.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.984 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -65.72 -28.27 68.93 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.777 0.322 . . . . 0.0 110.14 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -76.53 -35.44 58.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.812 HD13 HD12 ' B' ' 126' ' ' LEU . 4.5 mm? -56.65 -48.66 77.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 27.9 mt -59.03 -54.81 42.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.385 -174.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 20.0 m-20 -66.42 -30.4 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.096 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' O ' HD13 ' A' ' 19' ' ' LEU . 77.9 t80 -63.65 -57.58 9.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 110.011 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.23 -35.69 59.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.506 0.669 . . . . 0.0 110.223 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.5 ttt180 -58.96 -43.71 91.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.924 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.5 mt-10 -71.84 -34.5 69.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.181 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 8.6 mp -54.38 -53.71 50.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -67.09 -33.61 83.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.928 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.37 -35.95 82.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.763 0.316 . . . . 0.0 111.504 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 18' ' ' GLU . 31.3 m -96.46 -5.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 0.0 110.551 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 26' ' ' GLU . . . 88.63 31.17 13.54 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.536 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' B' ' 54' ' ' TYR . 81.4 mt -100.48 0.33 39.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.29 0.566 . . . . 0.0 110.356 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 38.3 tp -113.89 -10.29 12.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.238 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 47.5 mt-10 -61.31 131.15 49.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.148 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.52 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -152.14 103.04 2.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -85.17 145.02 27.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.217 0.532 . . . . 0.0 111.782 -172.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -84.58 169.27 14.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.163 171.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.25 -39.62 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.059 0.39 . . . . 0.0 111.114 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -65.83 -40.82 92.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -67.39 -27.25 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.404 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -81.1 -32.54 33.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.141 0.496 . . . . 0.0 110.249 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.16 -35.32 80.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.14 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.95 -22.84 12.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 55.2 mt -94.89 -54.45 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.928 0.394 . . . . 0.0 111.184 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.12 -29.54 60.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.285 0.564 . . . . 0.0 109.913 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.99 -25.16 32.61 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.244 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.48 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.436 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 19.7 m120 -130.89 159.85 36.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.041 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' B' ' 43' ' ' LYS . 2.8 mppt? -68.66 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.247 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -108.82 174.59 5.8 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.649 174.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 37.7 mt -84.61 175.43 9.25 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.524 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -85.23 -48.6 8.95 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.347 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 24.6 m -85.48 125.77 33.31 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.65 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.85 -32.12 72.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -22.58 66.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.686 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.1 -46.44 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.106 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 34.8 t70 -53.48 -39.09 64.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.348 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.25 -53.34 17.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.424 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.526 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.3 mp -67.99 -40.96 84.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' A' ' 24' ' ' LEU . 85.9 t80 -60.73 -36.44 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.892 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.9 mm-40 -83.26 -20.47 34.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 0.0 110.336 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -113.7 31.88 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.2 m -139.74 85.64 2.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.174 0.511 . . . . 0.0 110.906 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.73 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.646 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.402 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.5 pm0 -80.89 -23.05 39.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 tp -84.48 -47.85 10.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.28 -28.89 60.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.164 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.37 -20.43 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.86 -37.47 55.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.213 0.53 . . . . 0.0 109.633 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.77 -13.97 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.147 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.17 -15.1 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.654 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.455 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.2 m-85 -92.93 131.46 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -74.81 -16.43 60.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -68.18 -33.22 74.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.94 0.876 . . . . 0.0 109.305 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' B' ' 66' ' ' TYR . 97.4 t -74.31 -55.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.163 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -47.78 -46.92 30.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.878 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.473 ' CD2' HD13 ' A' ' 37' ' ' LEU . 60.8 t80 -55.44 -51.66 66.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.551 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -70.65 -32.89 70.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.398 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.7 mt -73.54 -35.83 65.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.008 0.432 . . . . 0.0 110.59 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.88 -33.5 75.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.857 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.5 mtpt -62.68 -32.12 73.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.1 m -81.34 -32.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.4 t80 -62.05 -40.43 95.74 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 41.3 mtm180 -59.72 -25.7 65.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.227 0.537 . . . . 0.0 110.805 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.5 -53.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.049 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.4 -26.24 66.53 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 p -86.73 -21.68 26.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.368 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.0 p -175.29 111.28 0.12 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.622 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.498 ' HB ' ' OE1' ' B' ' 97' ' ' GLN . 3.6 t -80.64 -47.26 14.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.321 . . . . 0.0 110.373 176.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.417 HG22 HG23 ' B' ' 83' ' ' THR . 29.6 m -138.0 155.12 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -81.69 35.6 0.42 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.136 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.22 -27.49 6.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.22 6.72 56.63 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.66 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.8 m 65.62 125.5 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.716 0.769 . . . . 0.0 112.461 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 18.7 t -92.5 157.89 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.278 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.15 9.85 59.0 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.916 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 66.29 7.63 5.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.356 0.662 . . . . 0.0 111.811 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 20.1 ptm -110.77 154.69 23.58 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.6 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.469 ' HA ' HD23 ' B' ' 96' ' ' LEU . 42.1 t30 -159.61 -67.65 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.236 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 59.4 m -59.22 -31.46 69.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.76 -31.6 65.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.179 0.514 . . . . 0.0 110.2 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.3 OUTLIER -78.83 -30.74 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.223 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.498 ' OE1' ' HB ' ' B' ' 83' ' ' THR . 23.9 mm-40 -61.7 -39.28 90.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.512 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.8 mptp? -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.761 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.88 -57.62 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.95 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 96' ' ' LEU . 4.1 mm? -59.34 -40.57 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.147 -176.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.02 -46.2 88.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 94.6 t -62.19 -35.06 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.687 0.28 . . . . 0.0 110.827 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -56.15 -30.43 62.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.538 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.446 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.2 m-85 -74.6 -47.02 34.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.64 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.28 -29.39 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.34 -32.44 73.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 73.2 p -83.35 -9.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.748 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.475 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 80.5 mt -102.62 0.47 33.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -85.77 165.9 16.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.895 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -54.66 112.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.558 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.16 25.19 7.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.89 -152.99 25.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.964 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.2 pt -107.99 -49.3 7.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.759 0.314 . . . . 0.0 111.462 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -121.57 46.22 2.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.475 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -82.18 142.75 31.92 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.913 -171.06 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.1 m120 -118.06 135.05 54.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.582 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 0.3 OUTLIER -57.65 -30.74 65.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.344 178.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' B' ' 122' ' ' PHE . . . -70.25 -27.19 64.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 116' ' ' ASN . 32.2 mm -79.86 -41.84 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 109.935 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.3 tp10 -59.87 -51.0 71.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 44.1 mm-40 -65.21 -35.87 82.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.407 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' B' ' 118' ' ' ALA . 57.8 t80 -54.46 -52.62 61.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.09 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' CYS . . . . . 0.735 ' HA ' HD11 ' A' ' 12' ' ' LEU . 65.2 m -56.81 -45.6 82.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.765 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 65.6 mm-40 -67.87 -53.75 24.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.59 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' B' ' 59' ' ' GLU . 77.1 mt -58.19 -39.58 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.299 0.571 . . . . 0.0 110.841 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tm? -75.79 -59.98 2.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.704 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 12' ' ' LEU . 1.7 pp -59.11 -30.59 68.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 -175.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.5 t70 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.36 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.484 ' HB2' HG12 ' B' ' 53' ' ' ILE . 59.8 mmtt -81.83 -29.82 32.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 126' ' ' LEU . 30.2 mt -71.15 -23.9 62.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.259 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -94.19 -10.11 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.675 174.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.72 -13.81 44.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.098 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -90.57 -22.67 6.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.609 0.719 . . . . 0.0 109.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -73.66 117.13 15.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.65 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 173.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.36 106.2 0.99 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.943 2.429 . . . . 0.0 112.079 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 63.08 90.73 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.239 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ptm -152.87 177.78 10.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.762 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -70.61 148.99 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 0.0 109.968 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.48 158.69 19.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.947 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 8.2 m-80 -90.62 9.82 28.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.455 -173.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.675 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.2 pt-20 -54.4 -43.71 71.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.13 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.726 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -65.41 -37.34 86.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.024 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -62.6 -37.13 85.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.215 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 20.9 mt-30 -64.99 -44.09 90.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 174.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 60.2 mt -55.86 -43.55 77.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.849 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 83.3 mt -62.26 -50.68 70.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.261 -173.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 18.9 m-20 -68.2 -24.58 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 110.831 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.0 t80 -67.06 -56.17 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.696 175.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' LEU . 65.5 mt -54.38 -40.17 47.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.704 0.764 . . . . 0.0 110.212 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 63.2 ttt180 -58.46 -47.95 82.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.707 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 71.6 mt-10 -68.14 -33.75 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.326 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD23 HD21 ' B' ' 45' ' ' LEU . 89.9 mt -58.99 -51.46 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.258 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 -27.4 73.42 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.203 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 17.2 m -102.27 -11.37 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 23.5 18.43 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.537 -0.84 . . . . 0.0 113.39 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.614 HD21 ' H ' ' B' ' 43' ' ' LYS . 88.6 mt -95.42 -25.31 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.754 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 3.1 tm? -85.95 -24.12 26.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.784 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.66 139.28 16.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.44 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -142.92 176.25 9.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -153.19 121.01 6.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 75.5 mt -106.71 159.78 15.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.553 -178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.668 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -113.71 174.64 5.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -54.8 -33.98 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -69.32 -54.23 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.098 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.668 ' HG2' ' H ' ' A' ' 30' ' ' SER . 1.9 pm0 -70.62 -18.91 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.41 -28.59 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.441 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.85 -33.93 74.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.172 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.3 -21.81 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.948 0.404 . . . . 0.0 111.497 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 71' ' ' PHE . 59.1 mt -94.8 -53.04 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.924 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.42 -27.43 56.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.664 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.11 37.48 2.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.141 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.381 179.113 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.782 0.325 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -128.08 -165.47 1.49 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.614 ' H ' HD21 ' A' ' 24' ' ' LEU . 43.6 mmtt -72.36 -176.2 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.61 0.719 . . . . 0.0 111.62 -173.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.47 161.34 36.61 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.398 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.718 HD21 HD23 ' A' ' 19' ' ' LEU . 21.8 mt -73.45 173.84 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.515 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.416 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.1 mmmm -90.69 -49.22 6.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 -175.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.6 m -91.24 129.82 37.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.236 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -68.2 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.763 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 -8.75 35.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.426 . . . . 0.0 111.033 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.21 -42.34 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.3 t70 -57.76 -36.24 71.84 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.023 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -53.42 -46.41 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.413 ' H ' HD12 ' B' ' 53' ' ' ILE . 4.5 mp -70.21 -42.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.01 -31.51 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.009 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 66.7 mm-40 -89.14 -18.52 27.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.983 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -112.16 31.58 6.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -176.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.2 m -146.6 85.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.278 0.561 . . . . 0.0 111.198 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.58 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -73.29 -19.48 61.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.193 0.521 . . . . 0.0 110.37 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -84.2 -44.39 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.71 -29.52 62.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.086 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.01 -21.47 56.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.749 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 mt -75.98 -29.15 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.165 0.507 . . . . 0.0 109.955 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 2.39 23.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.963 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -85.05 -18.04 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.426 . . . . 0.0 110.095 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.42 ' HB2' HG23 ' B' ' 69' ' ' VAL . 84.6 m-85 -92.15 129.95 37.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.44 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.416 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 92.4 m-20 -73.05 -23.24 60.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.599 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -71.77 -30.8 65.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.847 0.832 . . . . 0.0 109.661 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.47 HG13 HD13 ' B' ' 119' ' ' ILE . 60.7 t -74.54 -59.43 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.267 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -54.32 -36.08 63.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.668 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CD2' HD13 ' A' ' 37' ' ' LEU . 48.5 t80 -55.59 -52.09 64.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.112 0.482 . . . . 0.0 111.05 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.402 ' HB3' ' CD1' ' B' ' 108' ' ' LEU . 33.5 m80 -72.76 -29.38 63.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.244 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.63 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.4 mt -72.93 -36.82 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -67.84 -31.27 70.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.936 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 14.5 mmmm -56.05 -34.73 66.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 176.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.63 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.5 m -84.01 -33.33 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.231 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.3 t80 -60.27 -40.75 91.5 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 81.9 mtt180 -60.6 -29.97 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.257 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -73.04 -48.65 43.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.624 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.596 HD22 ' O ' ' B' ' 76' ' ' VAL . 0.7 OUTLIER -62.48 -15.15 48.39 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' B' ' 82' ' ' SER . 19.4 m -76.22 -50.9 13.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' B' ' 81' ' ' SER . 32.0 t 169.84 148.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.438 0.461 . . . . 0.0 110.289 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.572 HG23 HG22 ' B' ' 84' ' ' VAL . 12.4 t -114.65 -32.56 5.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.062 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.572 HG22 HG23 ' B' ' 83' ' ' THR . 10.8 m -146.48 170.51 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.82 24.85 4.67 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.07 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.66 -23.7 60.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.122 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.45 22.34 67.64 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.697 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.2 t -68.44 -33.32 73.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.347 0.594 . . . . 0.0 110.317 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t -106.75 99.68 9.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.958 175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 -51.06 4.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.164 -174.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -91.8 8.75 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.225 0.536 . . . . 0.0 111.773 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.419 ' HB3' ' HB3' ' B' ' 95' ' ' ASP . 46.2 mtm -132.31 -86.33 0.47 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.559 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 48.4 t30 59.86 -74.96 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.321 0.648 . . . . 0.0 111.758 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 14.9 p -59.19 -29.75 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.871 0.367 . . . . 0.0 110.688 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 21.1 t70 -67.13 -35.26 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.633 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.4 OUTLIER -71.39 -31.32 67.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.307 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.539 ' OE1' HG22 ' B' ' 83' ' ' THR . 12.7 mm100 -62.92 -32.5 73.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.69 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.585 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.7 mptm? -55.86 -44.15 77.8 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.9 -53.93 52.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.159 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 103' ' ' ASN . 4.3 mm? -60.44 -37.98 82.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.873 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.11 -46.21 85.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.729 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.26 -32.81 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.547 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 100' ' ' LEU . 16.8 m-80 -55.75 -29.41 59.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.2 m-85 -81.2 -44.44 17.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.452 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.17 -33.07 71.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.756 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.42 -30.14 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.4 ' HB ' HG12 ' B' ' 113' ' ' ILE . 62.8 p -94.93 -3.63 48.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.546 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 89.1 mt -104.81 -17.87 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.367 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -83.02 172.45 12.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.858 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.19 134.96 56.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.13 35.27 24.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.32 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.42 -159.54 18.59 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.4 HG12 ' HB ' ' B' ' 107' ' ' THR . 19.3 pt -100.4 -47.0 11.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 111.641 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -127.05 47.09 2.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.6 p90 -78.93 151.34 31.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.57 -169.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.9 m120 -119.87 130.89 55.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 8.5 pt-20 -62.94 -23.28 67.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.753 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.455 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.34 -30.59 64.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.784 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' B' ' 116' ' ' ASN . 25.3 mm -71.15 -41.12 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 10.6 tp10 -58.13 -50.86 72.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.868 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 20.3 mm-40 -59.98 -43.23 95.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.438 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.35 -54.51 35.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.399 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.28 -50.09 74.01 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 76.7 mm-40 -64.34 -54.27 35.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.757 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -59.03 -42.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.699 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 15' ' ' PHE . 45.3 tp -71.47 -53.96 12.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.771 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' A' ' 12' ' ' LEU . 2.6 pp -65.0 -27.87 69.12 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.376 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.56 -44.77 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.381 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -80.94 -31.45 34.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.008 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 74.2 mt -67.34 -26.55 66.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.447 177.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -90.41 -16.42 29.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.48 -13.66 54.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.295 0.569 . . . . 0.0 111.124 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.21 -17.54 7.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-O 121.867 0.841 . . . . 0.0 109.505 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 70.5 mmtt -88.84 87.44 7.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.501 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.465 ' HG2' ' OXT' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.136 -0.935 . . . . 0.0 109.407 175.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.36 100.19 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.371 2.047 . . . . 0.0 111.666 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -62.51 112.21 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptm -77.21 134.67 38.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.811 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.43 136.04 40.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.98 -176.04 2.86 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.719 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.573 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 28.5 m-80 -119.19 10.93 12.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.0 pt-20 -56.23 -53.66 54.55 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.723 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.807 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 20.9 m-80 -61.04 -35.95 78.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -60.0 -51.27 70.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.698 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 32.8 mt-30 -58.8 -43.97 90.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 176.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.3 mp -55.06 -44.33 74.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.249 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 79.9 mt -59.48 -53.73 54.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.576 -177.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -66.14 -28.89 69.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.6 t80 -64.9 -54.58 28.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.863 175.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.2 mt -59.35 -36.33 63.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.246 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.5 ttt180 -62.88 -46.31 88.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.668 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 51.0 mt-10 -64.77 -35.15 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.285 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 86.1 mt -53.25 -51.07 63.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.982 0.42 . . . . 0.0 110.604 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.72 -25.74 74.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.197 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.25 -30.25 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.892 0.346 . . . . 0.0 111.698 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.789 HG23 HD13 ' A' ' 24' ' ' LEU . 3.2 m -102.08 -22.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.807 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.6 38.2 1.34 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.814 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.789 HD13 HG23 ' A' ' 22' ' ' VAL . 5.1 mp -106.05 -30.99 8.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.052 -0.574 . . . . 0.0 109.976 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' B' ' 74' ' ' ALA . 20.5 tp -94.3 -1.4 53.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.6 136.31 57.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.157 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.517 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 43.9 p90 -142.88 176.54 8.99 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.406 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -161.41 108.63 1.44 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -82.83 134.83 35.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.793 -171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -91.69 173.07 8.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -54.58 -40.46 68.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.668 0.271 . . . . 0.0 111.473 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.337 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.4 mm-40 -66.26 -28.72 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.466 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -80.29 -28.01 38.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.23 -32.01 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.28 -24.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 0.0 111.447 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.9 mt -93.85 -53.63 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.406 -176.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -87.34 -24.62 24.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.246 0.546 . . . . 0.0 110.496 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.13 -68.29 3.5 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.582 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 178.259 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -99.89 -159.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.04 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.607 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 1.8 mptt -80.33 177.59 8.86 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.419 HG22 ' NE2' ' B' ' 55' ' ' GLN . 2.4 p -108.0 162.2 14.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.83 0.348 . . . . 0.0 111.432 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 19' ' ' LEU . 44.7 mt -79.35 173.38 12.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.743 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -96.24 -32.66 12.32 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.129 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -91.66 125.47 36.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.712 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -61.14 -40.32 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.423 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.58 74.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.02 0.438 . . . . 0.0 110.762 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.414 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.1 m-85 -80.34 -44.68 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.656 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 38.5 t70 -58.71 -38.67 78.82 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.404 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.97 -53.11 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.824 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.3 mt -65.67 -42.03 91.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.409 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 75.3 t80 -58.56 -33.56 70.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.396 . . . . 0.0 110.95 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 60.6 mm-40 -88.93 -32.61 17.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -83.22 -18.16 40.22 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.5 m -114.19 93.83 4.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.521 0.677 . . . . 0.0 110.431 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.9 58.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.039 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.432 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.3 pm0 -77.29 -20.08 55.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 109.741 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.32 -35.75 40.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.41 -40.87 89.85 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.63 -23.45 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.924 0.393 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.411 ' O ' HG21 ' B' ' 69' ' ' VAL . 78.9 mt -71.11 -30.97 67.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.695 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.6 9.35 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -89.22 -18.45 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.007 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.545 ' O ' HG22 ' B' ' 69' ' ' VAL . 67.6 m-85 -89.57 118.85 29.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 109.907 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.93 -35.5 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.745 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.7 m -60.41 -41.64 94.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.758 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.9 m -82.42 -38.89 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.146 -174.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.517 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 ttpt -70.07 -30.14 67.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.091 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.401 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 38.1 t80 -58.38 -48.09 81.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -70.11 -34.66 73.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.178 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.0 mt -69.14 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.72 -28.83 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.763 0.316 . . . . 0.0 110.952 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.3 mtpt -64.73 -33.75 76.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.4 m -79.27 -32.52 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.9 t80 -60.45 -36.19 77.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.063 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -58.86 -41.86 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.391 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.83 -49.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.128 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.2 mm? -65.73 -12.5 54.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.5 m -90.13 -48.77 6.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 30.7 p -176.09 139.85 0.39 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.291 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.614 ' HB ' HE22 ' B' ' 97' ' ' GLN . 7.2 t -104.43 -24.63 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 25.5 m -131.67 157.8 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.118 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -81.47 55.72 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.37 0.605 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -149.35 -89.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.92 41.45 99.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.23 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -60.88 119.66 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.048 0.452 . . . . 0.0 111.406 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.7 m -60.18 143.66 51.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.817 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.22 -14.63 15.92 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -133.55 99.28 4.45 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 90.1 mmm -45.32 114.97 0.83 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -102.04 -43.07 5.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.752 -175.338 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -56.39 -41.0 75.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.571 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.474 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -74.9 -29.28 60.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.672 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.35 -28.52 69.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.569 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.3 mptm? -57.89 -31.97 67.26 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -58.83 3.1 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.404 HD22 ' N ' ' B' ' 100' ' ' LEU . 3.4 mm? -58.82 -36.27 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.131 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -61.48 -45.62 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 98' ' ' LYS . 93.6 t -61.68 -33.1 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -62.32 -23.75 66.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.431 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.482 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.0 m-85 -82.23 -40.62 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 110.386 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -62.84 -31.07 72.01 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.263 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.24 -40.1 92.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.68 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.4 p -78.29 -9.87 59.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 82.5 mt -102.86 -14.99 16.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.459 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 30.5 mtp180 -88.55 172.82 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.258 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -55.33 133.14 49.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.179 0.514 . . . . 0.0 111.604 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.38 10.74 67.7 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.438 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.52 -174.28 45.94 Favored Glycine 0 N--CA 1.435 -1.406 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.498 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 114' ' ' HIS . 26.3 pt -88.18 -46.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -174.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.403 ' N ' HG13 ' B' ' 113' ' ' ILE . 27.0 m170 -126.43 46.83 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.1 p90 -77.14 150.21 35.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.273 -171.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -123.85 132.5 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.693 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.68 -29.47 70.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 -171.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.768 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -71.87 -34.04 68.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.273 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 108' ' ' LEU . 46.1 mm -68.6 -39.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.049 0.452 . . . . 0.0 109.792 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.39 -52.77 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.4 -38.93 93.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.648 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -53.71 -53.05 57.55 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.762 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 44.4 t -56.7 -47.61 79.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.726 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 86.5 mm-40 -65.65 -52.9 48.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.895 -174.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.9 mt -62.92 -42.49 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.08 0.467 . . . . 0.0 110.887 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 130' ' ' LEU . 43.0 tp -69.49 -54.39 14.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.677 -175.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.77 -27.73 69.5 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.964 0.412 . . . . 0.0 109.957 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.9 t70 -56.54 -42.43 78.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.473 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.44 ' CB ' HG12 ' B' ' 53' ' ' ILE . 62.0 mmtt -90.66 -31.21 16.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.571 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' B' ' 126' ' ' LEU . 57.6 mt -64.52 -29.92 70.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.251 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -90.76 -12.83 35.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.801 0.334 . . . . 0.0 110.732 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.13 -5.42 55.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.45 -21.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.736 0.779 . . . . 0.0 109.309 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.27 91.77 5.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.64 -179.249 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 104.21 0.7 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.714 2.276 . . . . 0.0 111.942 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 112.11 11.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -62.73 121.0 12.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.022 0.439 . . . . 0.0 110.604 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.07 128.3 35.41 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.394 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.58 169.81 8.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.046 0.451 . . . . 0.0 110.32 -175.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -100.55 10.44 41.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -59.2 -49.08 79.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.739 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.2 p30 -58.06 -36.51 72.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.173 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.6 m -60.66 -33.78 73.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.253 0.549 . . . . 0.0 110.514 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.557 ' HB3' HD13 ' B' ' 130' ' ' LEU . 0.1 OUTLIER -78.92 -40.3 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.045 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.0 mp -52.7 -51.54 59.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.302 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 46.4 mt -55.89 -53.48 56.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.373 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.93 -27.15 62.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.681 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.81 -58.65 5.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.885 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.72 -37.14 38.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.211 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.6 ttt180 -58.91 -42.42 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.261 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -68.47 -36.94 79.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.461 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.03 -51.36 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.49 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.22 73.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.01 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.26 -40.72 81.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.764 0.282 . . . . 0.0 111.285 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' HD3' ' B' ' 46' ' ' LYS . 8.8 m -95.95 -16.52 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.002 0.429 . . . . 0.0 111.187 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.55 37.22 4.06 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.968 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD21 ' H ' ' B' ' 43' ' ' LYS . 86.9 mt -97.83 -13.03 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.492 . . . . 0.0 110.207 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.1 tp -102.41 -9.46 20.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.18 136.19 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.908 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -140.93 176.52 8.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.95 127.08 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.222 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.19 146.43 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.087 0.47 . . . . 0.0 111.649 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -87.59 169.69 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.548 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -52.76 -45.38 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.659 0.266 . . . . 0.0 111.332 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.48 -44.14 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.473 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 mt-10 -64.12 -33.74 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.579 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.1 -31.48 61.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 110.236 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.56 -29.76 63.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.358 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.11 -26.82 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.7 mt -93.87 -49.43 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -175.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -76.31 -29.22 57.25 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.87 38.87 2.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.266 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.918 -178.675 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptm . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -133.7 -169.54 2.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.587 ' H ' HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -106.05 170.33 7.97 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.648 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -107.28 168.71 9.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.79 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 38.6 mt -76.87 -177.64 4.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.061 0.457 . . . . 0.0 111.755 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.5 mmmm -86.33 -45.38 11.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 51.0 m -97.21 131.76 43.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.993 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -68.9 -32.85 72.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.845 0.355 . . . . 0.0 110.45 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.01 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.24 -44.45 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.71 -35.18 65.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.8 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.12 -51.01 57.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.804 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.542 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -66.8 -40.88 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.441 ' CE2' HD13 ' A' ' 24' ' ' LEU . 79.9 t80 -61.81 -29.46 70.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.3 mm-40 -91.97 -29.8 16.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -96.17 -9.89 29.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.3 m -118.73 85.87 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.225 0.535 . . . . 0.0 110.379 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.772 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' B' ' 59' ' ' GLU . 6.1 pt-20 -69.26 -25.04 64.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.892 176.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -84.31 -35.79 23.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.234 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.16 -35.61 69.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.792 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.61 -27.35 68.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.413 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.42 HD11 HD12 ' B' ' 125' ' ' ILE . 57.8 mt -72.13 -31.01 65.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.994 178.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.85 -11.62 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.137 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.96 -33.85 75.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.074 0.464 . . . . 0.0 110.095 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -70.41 129.67 39.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.991 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -76.1 -19.34 58.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.213 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 94.3 m -70.11 -34.51 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.769 0.795 . . . . 0.0 109.317 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' B' ' 73' ' ' LEU . 76.3 t -69.61 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.679 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -51.16 -39.57 56.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.379 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 57.8 t80 -56.67 -52.52 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 111.32 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -66.54 -37.76 85.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 76' ' ' VAL . 73.7 mt -69.68 -37.79 76.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.819 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.79 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.783 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 53.6 mtpt -65.27 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -76.76 -30.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.274 -0.571 . . . . 0.0 109.657 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 25.2 t80 -60.86 -38.03 84.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.365 175.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 53.4 mtm180 -62.86 -23.97 67.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.265 0.555 . . . . 0.0 110.58 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -78.48 -44.01 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.888 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.92 -19.32 62.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.048 0.452 . . . . 0.0 110.297 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t -89.25 17.46 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.6 m 72.0 119.29 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.927 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -59.65 -26.84 65.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.004 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.3 m -122.29 172.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.972 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -110.93 29.19 7.99 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.274 0.559 . . . . 0.0 110.158 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -108.68 -64.64 1.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.616 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.63 58.15 10.88 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.641 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -85.39 -2.28 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.3 m -56.87 126.29 26.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.302 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.66 -32.4 46.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.395 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -98.78 51.33 0.98 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.082 0.468 . . . . 0.0 109.94 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 27.4 ttm 66.36 148.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.424 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.594 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.7 t-20 -96.49 -47.75 5.83 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.28 -176.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 29.0 p -64.72 -26.68 68.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.797 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.4 -38.89 91.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.506 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -31.78 44.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.5 mm100 -62.78 -23.67 67.34 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.5 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.7 mptt -53.0 -45.91 68.11 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.43 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.64 -50.62 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.14 -34.85 79.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.96 -49.06 71.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 98' ' ' LYS . 60.4 t -62.24 -35.36 68.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.662 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -54.68 -33.52 60.96 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.471 ' O ' HD23 ' B' ' 108' ' ' LEU . 5.7 m-85 -72.99 -50.88 20.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.62 -24.29 67.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.895 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' B' ' 102' ' ' VAL . 84.1 m-20 -71.79 -17.71 62.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.406 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.8 p -96.64 -11.58 25.04 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.656 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.6 mm? -95.07 -5.65 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.51 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -73.87 150.78 40.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.507 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.11 125.13 19.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.11 33.87 11.49 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.487 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.84 -151.66 16.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.833 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 pt -107.91 -46.46 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -126.61 46.32 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.934 0.397 . . . . 0.0 110.258 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.49 ' HA ' HD13 ' B' ' 108' ' ' LEU . 5.7 p90 -83.98 142.87 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.493 -176.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.439 ' HB2' HG12 ' B' ' 119' ' ' ILE . 10.7 m120 -105.49 149.22 26.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.866 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.65 -34.47 77.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.724 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.36 -25.79 51.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.656 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.9 mm -77.82 -36.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.05 -50.29 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -66.18 -42.41 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -51.1 -58.37 6.29 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.759 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.4 m -54.86 -46.4 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.794 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 81.6 mm-40 -65.27 -52.52 53.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.675 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.429 HG21 ' HG3' ' B' ' 59' ' ' GLU . 94.2 mt -62.68 -42.13 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 111.128 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.461 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -67.95 -60.4 2.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.19 -175.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.06 -29.22 67.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.151 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 24.0 t70 -57.78 -50.03 74.62 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.542 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.6 mmtp -79.47 -25.95 41.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.773 -175.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.665 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 85.5 mt -70.36 -39.85 74.41 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.536 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -79.97 -3.13 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 0.0 110.11 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.78 -7.47 49.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.552 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.68 -26.41 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 14.3 mmmm -59.9 114.29 2.73 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.539 178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.336 -179.121 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.453 0 N-CA-C 111.629 -0.589 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.69 74.99 4.15 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.988 2.459 . . . . 0.0 112.181 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 62.78 177.23 0.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.342 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.8 mtm 63.09 -159.27 0.32 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.466 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -58.95 145.69 40.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 0.0 110.308 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.65 108.73 19.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.126 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.32 1.82 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.658 -170.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 pm0 -59.81 -36.31 76.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 167.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.745 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 45.7 m-80 -60.8 -46.56 90.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.07 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -51.97 -41.49 62.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.902 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.2 mm100 -74.76 -38.75 62.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 97.7 mt -59.38 -46.86 87.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.905 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 60.5 mt -55.56 -57.08 13.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.725 -175.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.4 m-20 -67.37 -29.32 68.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' B' ' 126' ' ' LEU . 41.6 t80 -65.02 -58.41 6.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -55.84 -37.11 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.548 0.69 . . . . 0.0 110.205 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 61.6 ttt180 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.006 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 62.3 mt-10 -66.95 -35.24 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.207 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 10.9 mp -57.69 -50.05 74.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.09 78.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.665 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.51 -29.63 68.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.627 0.251 . . . . 0.0 111.666 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' GLU . 27.9 m -104.35 -1.28 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 111.033 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 35.96 15.28 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.503 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' HG2' ' B' ' 43' ' ' LYS . 81.8 mt -107.08 -5.02 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 111.126 175.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 tp -105.8 -13.9 15.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.82 138.55 54.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.529 0.68 . . . . 0.0 111.049 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -134.84 177.62 7.65 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.39 -170.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -142.22 114.56 8.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 95.6 mt -98.48 134.34 41.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.046 0.451 . . . . 0.0 111.867 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -86.97 172.88 9.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.416 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -56.01 -43.87 78.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 0.0 111.198 -177.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.68 -43.63 92.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.426 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 40.2 mt-10 -66.63 -28.37 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.454 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.93 -33.85 59.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.26 -33.23 72.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.33 -23.42 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.531 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.5 mt -94.4 -53.0 4.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.401 . . . . 0.0 111.339 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -79.09 -23.2 44.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.024 0.44 . . . . 0.0 110.286 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.15 7.18 79.25 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.243 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.298 179.203 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 121.195 0.522 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -135.72 142.44 45.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.675 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.569 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -80.52 155.95 26.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.311 0.577 . . . . 0.0 110.787 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -120.22 177.82 4.87 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.312 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 19' ' ' LEU . 33.9 mt -74.23 -178.05 3.25 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 111.144 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -95.06 -41.79 8.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.724 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -92.05 124.43 36.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.413 173.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 46.9 tptt -66.31 -33.87 76.71 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.915 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.611 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.35 -44.46 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -54.02 -36.28 62.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.069 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.95 -52.83 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.288 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.8 mp -64.81 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.755 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -60.6 -32.76 71.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.7 mm-40 -87.98 -17.36 31.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.738 0.304 . . . . 0.0 110.898 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -112.53 32.93 5.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -146.94 81.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.189 0.518 . . . . 0.0 110.831 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.588 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 8.2 pt-20 -72.34 -19.49 61.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.441 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -84.28 -46.64 11.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.994 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.18 -27.73 67.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.174 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.588 ' OE2' ' HA ' ' B' ' 59' ' ' GLU . 12.3 pt-20 -74.82 -26.91 60.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.88 -29.23 58.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.374 0.606 . . . . 0.0 109.411 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 75.2 mt -79.85 15.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -99.47 -17.87 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.227 0.536 . . . . 0.0 109.814 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.444 ' HB2' HG23 ' B' ' 69' ' ' VAL . 63.9 m-85 -89.48 123.58 33.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.843 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 93.8 m-20 -69.08 -19.33 64.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.3 m -68.04 -46.31 71.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.855 0.836 . . . . 0.0 108.948 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 HD13 ' B' ' 119' ' ' ILE . 58.1 t -62.65 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.439 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 51.8 mtpt -56.11 -33.68 65.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.526 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.449 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 63.7 t80 -63.52 -52.85 59.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.816 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -67.57 -30.36 69.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.773 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.599 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.1 mt -73.85 -38.64 64.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.33 -30.34 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.978 0.418 . . . . 0.0 110.175 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 30.1 mmmt -57.91 -41.45 82.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.073 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.599 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.3 m -77.28 -32.56 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.216 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 14.1 t80 -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.504 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 88.3 mtt180 -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.561 . . . . 0.0 110.529 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' B' ' 76' ' ' VAL . 64.4 mt -70.91 -46.32 68.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.96 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -68.78 -22.82 64.26 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.128 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p -91.39 26.77 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.4 m 72.12 117.55 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.43 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -79.51 -19.9 48.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.467 0.651 . . . . 0.0 109.845 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.51 169.12 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.439 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.63 24.57 12.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.961 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.06 -56.27 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.024 -176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.97 55.62 10.48 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.961 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' B' ' 93' ' ' ASN . 16.4 m -57.69 121.21 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.5 p -95.89 143.3 27.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.227 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 -56.91 5.04 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.729 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -90.54 16.13 9.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.76 0.314 . . . . 0.0 110.279 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 33.96 113.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 173.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.628 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -72.86 -36.42 67.41 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.878 -1.51 . . . . 0.0 108.858 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -31.27 72.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.65 -36.33 75.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.062 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.0 OUTLIER -77.93 -31.29 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.34 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.4 mm100 -59.81 -33.58 71.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 56.1 mttt -61.13 -31.16 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.88 -52.57 55.85 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.255 0.55 . . . . 0.0 109.582 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.02 -32.24 72.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.347 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.61 -51.3 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 66.0 t -60.39 -36.53 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.723 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -52.56 -40.4 62.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.96 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.3 m-85 -68.3 -47.06 68.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.0 mm? -61.4 -31.95 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.692 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.42 -44.88 95.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.057 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -76.97 -10.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.652 ' HB3' HG21 ' B' ' 119' ' ' ILE . 79.0 mt -101.37 -2.83 29.99 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -105.54 -177.79 3.47 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.636 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -48.14 132.14 15.86 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.226 0.536 . . . . 0.0 111.963 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.78 33.99 57.0 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.526 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.24 -149.01 24.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.877 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.24 -46.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.857 0.36 . . . . 0.0 110.605 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.92 38.41 3.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.559 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 1.4 p90 -80.18 146.48 31.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.874 -172.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.411 ' HB2' HG12 ' B' ' 119' ' ' ILE . 7.6 m120 -123.58 147.16 47.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.7 -27.95 69.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.413 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.86 -35.35 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.638 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -70.94 -39.07 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 42.1 tt0 -58.94 -49.9 76.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.27 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.1 -43.05 99.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.703 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.42 -57.54 8.71 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.475 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 26.4 p -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.053 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 81.8 mm-40 -67.13 -51.68 50.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.543 0.211 . . . . 0.0 111.32 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.509 HG21 ' HG3' ' B' ' 59' ' ' GLU . 75.0 mt -58.94 -44.68 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.389 0.614 . . . . 0.0 110.469 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 15' ' ' PHE . 32.8 tp -70.09 -50.75 37.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.782 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.419 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.3 pp -65.81 -27.11 68.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.337 -175.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.82 -45.9 78.21 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.243 0.544 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.525 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.9 mmtt -85.29 -29.82 24.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.556 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 11' ' ' GLN . 79.3 mt -70.99 -24.97 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.25 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.31 -4.0 39.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.765 0.317 . . . . 0.0 110.626 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.11 -7.95 58.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.314 0.578 . . . . 0.0 110.83 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.6 p -96.92 -20.44 5.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.882 0.849 . . . . 0.0 109.155 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -77.52 112.02 13.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.085 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 12.5 mptt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.991 -179.457 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.866 -0.493 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.56 107.23 1.2 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.507 2.138 . . . . 0.0 112.278 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -71.63 124.41 24.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.477 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mtp -110.09 160.55 16.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -115.87 150.79 36.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.865 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.28 153.5 9.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -75.51 -3.65 35.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.002 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.5 pt-20 -60.71 -36.58 79.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 168.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.804 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 44.3 m-80 -72.56 -32.99 66.49 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.036 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -58.83 -40.58 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.52 ' HB3' HD13 ' B' ' 130' ' ' LEU . 13.4 mm100 -63.22 -43.04 99.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.101 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.729 HD23 HD12 ' B' ' 126' ' ' LEU . 59.7 mt -58.86 -51.03 71.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.809 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.0 mt -56.31 -54.34 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.331 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 6.0 m-20 -70.88 -24.41 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.276 -176.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CE1' HD21 ' B' ' 126' ' ' LEU . 61.2 t80 -67.58 -52.1 42.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.183 0.516 . . . . 0.0 109.729 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.5 -35.65 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.246 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 44.5 ttt180 -63.68 -46.97 83.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.238 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 45.8 mt-10 -70.73 -31.91 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.173 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.55 -54.54 39.84 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.779 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -70.73 -24.13 77.22 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.78 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.65 -35.03 76.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.726 0.298 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 18' ' ' GLU . 11.8 m -94.51 -12.45 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 110.485 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 96.23 21.9 21.27 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.237 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' B' ' 54' ' ' TYR . 87.6 mt -82.91 -11.61 58.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.741 0.781 . . . . 0.0 109.861 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' B' ' 73' ' ' LEU . 45.1 tp -104.92 -18.14 14.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.9 pt-20 -67.26 136.27 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 110.137 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 71' ' ' PHE . 33.8 p90 -139.04 177.23 8.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.736 -172.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -142.86 106.57 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.13 140.77 29.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.72 -172.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -87.33 167.64 13.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.479 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -50.61 -44.94 57.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.573 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.23 -40.44 86.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 41.8 mt-10 -66.99 -27.7 67.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -27.55 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.239 0.542 . . . . 0.0 109.937 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 31.0 t70 -70.5 -36.05 73.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.287 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 m -80.94 -24.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.908 0.385 . . . . 0.0 111.511 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mt -94.45 -53.75 3.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 0.0 111.429 -176.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.69 -29.66 36.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.295 0.569 . . . . 0.0 110.488 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 61.36 26.31 66.07 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.847 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.554 -179.597 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 64.2 -158.38 0.3 Allowed 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.703 0.627 . . . . 0.0 110.791 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.612 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -81.9 174.18 11.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.318 -178.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.06 171.05 7.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.77 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 41.7 mt -83.83 174.35 10.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 110.648 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -92.36 -48.74 6.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.171 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 62.7 m -77.66 123.49 26.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.557 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.82 -39.14 90.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.076 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.91 -15.38 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.336 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.79 -40.43 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.298 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -58.9 -38.45 78.91 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.707 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -50.35 -51.73 43.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.08 -40.41 85.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.076 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 24' ' ' LEU . 73.6 t80 -60.2 -30.53 69.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.5 mm-40 -90.66 -20.76 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.385 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -104.44 -5.72 21.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -111.39 83.03 1.7 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.572 0.701 . . . . 0.0 110.313 178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.28 -22.22 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.663 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.652 ' HA ' ' OE1' ' B' ' 62' ' ' GLU . 2.0 pm0 -74.92 -19.81 59.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.449 0.642 . . . . 0.0 109.473 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.19 -48.68 9.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.189 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -61.46 -24.57 66.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.652 ' OE1' ' HA ' ' B' ' 59' ' ' GLU . 10.6 pt-20 -72.24 -20.11 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.977 0.418 . . . . 0.0 109.878 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.98 -34.61 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.8 mm? -71.6 7.56 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.638 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -89.19 -12.07 41.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.212 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.618 ' O ' HG22 ' B' ' 69' ' ' VAL . 91.4 m-85 -95.13 116.8 29.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -62.42 -27.14 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -36.85 83.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.147 0.499 . . . . 0.0 110.849 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.618 HG22 ' O ' ' B' ' 66' ' ' TYR . 1.8 m -81.87 -39.67 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 26.1 mtpp -62.68 -36.09 81.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.935 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.497 ' CG ' HD13 ' A' ' 37' ' ' LEU . 58.6 t80 -57.11 -51.79 67.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.892 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -70.27 -29.56 66.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.224 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 25' ' ' LEU . 92.9 mt -72.77 -37.59 67.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.395 176.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.02 -31.18 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.6 mmmt -58.9 -41.78 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.757 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.1 m -79.6 -32.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.281 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.3 t80 -56.56 -40.78 75.76 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.404 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 45.4 mtp180 -63.11 -35.73 81.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.453 HG23 ' HB ' ' B' ' 83' ' ' THR . 71.9 mt -64.6 -49.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.126 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' B' ' 80' ' ' LEU . 2.0 mm? -60.87 -20.72 62.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.647 0.26 . . . . 0.0 111.544 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -92.39 -50.12 5.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 10.3 p -175.44 97.57 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.134 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.459 HG23 HG13 ' B' ' 84' ' ' VAL . 4.3 t -71.17 -22.47 62.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -177.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.459 HG13 HG23 ' B' ' 83' ' ' THR . 8.5 m -137.44 177.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -91.59 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.137 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.18 -72.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.339 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.46 77.49 0.97 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.605 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -63.54 115.89 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 13.0 t -111.08 175.98 5.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.896 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.29 -52.15 4.68 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -97.14 38.34 1.25 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.672 0.272 . . . . 0.0 110.364 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.68 126.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.934 0.873 . . . . 0.0 112.447 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.451 ' HA ' HD23 ' B' ' 96' ' ' LEU . 38.6 t30 -103.12 -59.03 1.77 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.502 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -57.31 -40.38 77.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.19 -31.53 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.408 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.4 OUTLIER -73.83 -32.84 63.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 20.4 mm-40 -71.88 -30.94 65.93 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.103 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.58 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.9 mptm? -56.11 -41.92 76.03 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.261 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.18 -57.0 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.89 -31.12 70.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.334 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -67.38 -46.24 73.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.606 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 98' ' ' LYS . 87.3 t -60.48 -30.68 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 110.624 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.38 -30.78 71.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.257 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.7 m-85 -80.33 -41.79 24.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.586 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.8 mm? -61.43 -30.12 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -68.54 -26.91 65.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.488 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -89.5 -6.26 56.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.397 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.533 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 82.3 mt -103.8 -3.05 25.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.694 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -96.27 159.34 15.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 63.7 t80 -48.56 130.37 17.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 111.645 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.14 58.08 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.995 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.8 -151.1 15.95 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.249 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.47 -40.67 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.687 0.279 . . . . 0.0 111.421 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -133.52 42.65 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.533 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 2.5 p90 -74.58 151.39 39.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.545 -172.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.483 ' HB2' HG12 ' B' ' 119' ' ' ILE . 86.4 m-20 -112.88 136.95 51.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.153 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.2 OUTLIER -60.9 -29.54 69.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.737 178.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.608 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.54 -44.13 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.701 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' B' ' 108' ' ' LEU . 42.6 mm -60.43 -36.53 70.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 110.559 176.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.507 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 43.5 tt0 -58.58 -40.18 82.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.759 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.452 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -49.96 -60.64 2.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.4 p -56.11 -44.16 78.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.625 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 75.7 mm-40 -64.99 -53.01 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.781 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.428 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.4 mt -62.0 -41.37 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.204 0.526 . . . . 0.0 111.116 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -69.74 -59.14 3.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.279 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.4 pp -59.41 -30.13 68.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.315 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 19.7 t70 -55.63 -54.0 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.27 -35.23 71.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.562 HD12 HD13 ' B' ' 126' ' ' LEU . 56.1 mt -70.79 -15.76 62.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.769 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -102.93 -15.5 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.115 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.37 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.376 0.607 . . . . 0.0 110.736 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.9 p -96.62 -15.08 7.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.089 0.947 . . . . 0.0 109.199 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -91.06 101.39 14.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.609 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.933 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.91 137.82 35.89 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.036 2.491 . . . . 0.0 111.483 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -71.56 110.61 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.933 0.397 . . . . 0.0 110.679 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.6 mtp -84.77 135.51 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.733 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -136.08 157.11 47.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.905 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.99 -155.84 0.63 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -93.62 6.97 46.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.913 0.387 . . . . 0.0 110.61 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -60.34 -47.55 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.039 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.75 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -58.13 -32.78 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.143 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.86 -42.02 99.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.085 0.469 . . . . 0.0 110.017 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -75.11 -36.01 61.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.484 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.4 mp -54.54 -45.14 73.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.869 176.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.7 mt -61.1 -48.9 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.415 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.25 -30.97 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.395 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.4 t80 -64.03 -53.89 42.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.893 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.1 mt -56.77 -40.8 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.843 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -61.93 -41.97 98.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.294 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 64.5 mt-10 -67.38 -33.65 75.64 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 176.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.0 mt -56.72 -52.04 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 110.618 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.89 -15.98 72.07 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.536 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -80.01 -30.37 39.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.557 0.218 . . . . 0.0 111.032 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 HD13 ' A' ' 24' ' ' LEU . 4.1 m -102.09 -21.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.645 0.26 . . . . 0.0 111.486 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.63 20.57 4.58 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.87 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 mp -91.46 -27.35 18.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.865 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 73' ' ' LEU . 47.8 tp -93.21 -14.55 26.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.368 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.99 139.99 57.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.336 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 45.9 p90 -143.91 175.14 10.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.731 -173.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -145.14 110.35 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 92.1 mt -98.49 131.01 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -177.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -84.09 175.72 9.3 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -61.56 -38.3 86.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.103 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -61.7 -41.5 97.68 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.887 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.1 mt-10 -74.25 -32.54 63.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.496 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.96 -27.16 60.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.299 0.571 . . . . 0.0 109.919 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.7 -38.06 80.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.035 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 m -84.31 -23.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.457 -177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 68.3 mt -94.23 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.677 0.275 . . . . 0.0 111.604 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -79.85 -22.94 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.557 . . . . 0.0 109.848 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.29 4.59 83.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.136 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.46 179.662 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.432 ' HB2' ' OE1' ' B' ' 61' ' ' GLN . 20.8 mmt . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 m120 57.49 -155.99 0.32 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.525 0.515 . . . . 0.0 110.651 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.662 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -77.13 179.81 6.07 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.778 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -112.24 161.04 17.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 19' ' ' LEU . 44.5 mt -78.38 175.25 10.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.692 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -97.48 -37.87 9.81 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.517 -173.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.5 m -85.05 122.5 29.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -63.62 -34.9 78.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.334 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.37 79.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -79.11 -45.3 20.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.067 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.8 t70 -57.06 -34.88 68.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.57 -53.98 26.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.109 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.9 mp -65.94 -40.25 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.91 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.474 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 74.5 t80 -60.23 -39.61 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.081 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' B' ' 54' ' ' TYR . 56.4 mm-40 -83.84 -19.43 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 110.563 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.6 24.35 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.118 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -146.74 97.82 2.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.051 0.453 . . . . 0.0 110.741 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.99 61.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 35.8 mm-40 -70.53 -38.95 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.159 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.88 -33.47 62.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.479 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 18.6 tp60 -65.99 -43.23 88.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.357 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.7 pt-20 -62.72 -34.91 78.15 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.287 -173.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.09 -36.33 83.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.98 10.6 9.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 32.0 mmmt -100.07 -3.86 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -105.69 136.33 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.051 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 95.4 m-20 -74.08 -20.91 60.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.515 -176.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 88.1 m -71.01 -43.8 67.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.856 0.836 . . . . 0.0 109.758 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.51 -55.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.022 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 55.7 mtmt -56.3 -37.92 70.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.956 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -57.55 -52.42 65.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.0 111.118 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.457 ' HB3' HD13 ' B' ' 108' ' ' LEU . 25.1 m80 -70.62 -27.33 63.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.363 -176.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.613 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt -77.6 -34.04 53.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.819 0.342 . . . . 0.0 110.744 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.49 -26.82 68.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.791 177.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.64 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.613 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -84.38 -31.5 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.183 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.3 t80 -58.81 -40.49 84.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.954 0.407 . . . . 0.0 110.405 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 76.1 mtt180 -62.3 -28.82 70.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.665 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.09 -56.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.902 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.516 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -57.62 -30.61 65.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 26.8 t -75.7 -39.56 57.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.433 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 84' ' ' VAL . 65.6 m -158.46 115.97 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 0.0 111.574 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.571 ' HB ' ' NE2' ' B' ' 97' ' ' GLN . 13.4 t -79.06 -26.53 43.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.737 0.779 . . . . 0.0 109.045 172.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.646 ' O ' ' HB3' ' B' ' 82' ' ' SER . 15.7 m -121.79 158.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.843 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.76 56.49 1.17 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.295 0.569 . . . . 0.0 111.474 -175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -143.07 -52.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.361 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.89 -7.35 13.17 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.381 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -55.47 113.0 1.25 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.998 0.427 . . . . 0.0 111.381 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 36.05 0.06 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.26 -34.89 13.13 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.829 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -82.06 73.74 9.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.463 ' C ' ' H ' ' B' ' 94' ' ' SER . 61.2 mmm 51.96 -103.41 0.15 Allowed 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.774 0.672 . . . . 0.0 110.262 -171.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.79 -19.75 0.22 Allowed 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.225 0.536 . . . . 0.0 111.728 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 92' ' ' MET . 12.7 p -72.66 -27.63 62.23 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.764 0.426 . . . . 0.0 111.961 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.01 -31.61 71.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 0.0 109.323 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -43.65 63.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.673 173.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.571 ' NE2' ' HB ' ' B' ' 83' ' ' THR . 0.1 OUTLIER -59.75 -35.55 74.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.29 178.518 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.8 mptt -48.47 -57.11 6.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.262 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -55.36 -55.89 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.14 -38.11 75.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' ' 13' ' ' LEU . . . -65.62 -50.07 66.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 98' ' ' LYS . 49.1 t -63.53 -31.79 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.808 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.421 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 14.7 m-80 -62.51 -22.59 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.802 178.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.37 -40.21 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.61 -26.81 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.669 0.271 . . . . 0.0 110.477 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 14.2 m120 -61.95 -24.64 67.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.423 ' HB ' HG12 ' B' ' 113' ' ' ILE . 32.4 p -99.01 -2.49 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.6 mt -116.52 -31.98 5.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.774 -170.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -125.43 119.6 28.71 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.877 -174.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.23 55.82 27.19 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.655 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.76 -168.98 23.45 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.112 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.423 HG12 ' HB ' ' B' ' 107' ' ' THR . 13.5 pt -103.1 -33.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.249 0.547 . . . . 0.0 110.768 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.67 41.31 3.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.581 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -80.7 138.74 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.131 -169.492 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.573 ' HB2' HG12 ' B' ' 119' ' ' ILE . 29.9 m-20 -113.2 137.25 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.622 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 15.0 pt-20 -60.68 -25.48 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.404 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.127 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.573 HG12 ' HB2' ' B' ' 116' ' ' ASN . 43.9 mm -72.04 -37.63 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 8.9 tp10 -65.24 -46.88 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.605 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 21.9 mm-40 -56.38 -45.11 80.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.96 -56.58 16.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.456 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.04 -46.47 89.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.138 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 12.9 mm100 -63.12 -53.91 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.715 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.403 HD11 ' CE2' ' A' ' 15' ' ' PHE . 42.3 tp -68.89 -49.05 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.445 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.62 -30.12 70.79 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.198 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -54.37 -46.95 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.693 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.466 ' HB2' HG12 ' B' ' 53' ' ' ILE . 33.8 mmtp -84.61 -25.24 28.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.901 -177.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.412 ' O ' HG12 ' B' ' 133' ' ' VAL . 72.5 mt -72.49 -25.63 61.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.0 110.712 174.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -82.51 -14.83 54.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 109.857 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.07 2.26 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.96 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.3 p -99.65 -23.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.557 0.694 . . . . 0.0 109.873 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -83.04 109.79 17.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.684 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 10.7 mptt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.351 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.52 105.12 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.578 2.185 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.82 146.96 52.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.729 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -98.68 -177.77 3.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.117 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 55.27 -163.62 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 123.618 0.574 . . . . 0.0 111.218 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.35 172.74 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.005 0.431 . . . . 0.0 110.298 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -103.2 12.84 35.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.388 0.613 . . . . 0.0 110.625 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.4 pt-20 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.338 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 p30 -69.51 -36.06 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.325 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -57.6 -34.17 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.09 0.471 . . . . 0.0 110.304 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.46 ' HB3' HD13 ' B' ' 130' ' ' LEU . 82.2 mm-40 -77.56 -40.18 43.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.296 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 9' ' ' ASN . 95.4 mt -55.91 -46.92 78.29 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.028 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.0 mt -58.92 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.482 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -29.45 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.48 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.1 t80 -69.47 -53.17 20.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.195 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 19' ' ' LEU . 77.9 mt -55.67 -39.96 57.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.391 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 77.8 ttt180 -61.16 -44.59 97.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 56.1 mt-10 -64.82 -35.17 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.285 177.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.576 HD23 HD21 ' B' ' 45' ' ' LEU . 74.5 mt -57.74 -52.99 63.2 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.192 0.52 . . . . 0.0 110.281 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -23.72 77.8 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.828 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.92 -30.22 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.824 0.312 . . . . 0.0 111.384 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' GLU . 29.3 m -98.55 -20.25 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.748 0.309 . . . . 0.0 110.936 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.3 28.11 5.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.441 -0.885 . . . . 0.0 113.395 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' HE3' ' B' ' 43' ' ' LYS . 56.6 mt -96.27 -27.73 14.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.071 0.462 . . . . 0.0 110.73 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' B' ' 73' ' ' LEU . 58.3 tp -86.06 -21.98 27.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.336 178.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.69 138.23 47.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.598 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 49.5 p90 -146.63 178.29 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.726 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -145.65 138.53 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.46 HD13 HD12 ' A' ' 37' ' ' LEU . 59.5 mt -119.15 134.15 55.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m -86.26 172.06 10.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -57.97 -40.53 80.87 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.828 0.347 . . . . 0.0 110.609 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.66 -41.02 98.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 mm-40 -67.95 -32.77 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.13 -27.84 61.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.262 0.553 . . . . 0.0 110.214 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 23.9 t70 -66.31 -35.65 80.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.299 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.44 -21.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.8 mt -94.84 -54.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.589 -176.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -85.02 -32.38 22.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.726 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 75.46 -68.63 2.1 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.993 -175.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.092 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.636 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.87 0.366 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.407 ' HB3' ' HE2' ' B' ' 43' ' ' LYS . 88.8 m-20 -122.75 170.58 9.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.499 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.435 ' HE3' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.68 161.54 9.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 111.153 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.51 178.76 4.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.672 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.576 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -75.28 173.31 11.03 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.28 0.562 . . . . 0.0 110.514 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -91.77 -36.57 13.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.27 -174.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 43.7 m -96.79 127.01 42.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.36 -36.66 84.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.215 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.31 71.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.473 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -81.85 -44.2 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.38 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 28.6 t70 -54.75 -41.07 70.0 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.096 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -51.56 -49.27 62.38 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.35 -41.64 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 110.937 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.55 -25.26 67.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 56.3 mm-40 -95.37 -39.2 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.495 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -73.13 -27.57 61.76 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.827 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.6 m -110.72 85.02 2.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.262 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -26.0 68.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.556 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 35.7 mt-10 -61.9 -36.33 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.045 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.27 -39.79 65.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.288 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -63.07 -42.21 99.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.609 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.7 pt-20 -68.64 -23.5 64.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -173.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 84.3 mt -70.42 -38.55 74.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.204 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.3 mm? -72.73 7.95 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.837 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -99.49 5.72 46.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.919 0.39 . . . . 0.0 110.459 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.494 ' O ' HG22 ' B' ' 69' ' ' VAL . 84.4 m-85 -105.02 119.43 38.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.46 -33.42 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.978 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.421 HG23 ' CD2' ' A' ' 37' ' ' LEU . 97.3 m -62.08 -36.11 80.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' B' ' 118' ' ' ALA . 1.3 m -83.44 -38.99 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 25.8 mtpp -61.28 -40.82 95.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.819 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 42.7 t80 -55.77 -51.99 65.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.143 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -68.26 -35.81 78.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.538 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.625 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.1 mt -73.91 -34.85 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 110.998 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.22 -31.27 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.4 mtpt -63.26 -29.86 71.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -82.48 -33.33 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -60.78 -34.87 75.14 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.012 0.434 . . . . 0.0 110.129 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 23.4 mtp180 -60.71 -27.48 67.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.955 176.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -78.89 -44.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.669 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.3 mm? -69.32 -21.19 63.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.277 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p -90.65 30.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.935 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m 71.55 107.71 0.06 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.918 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.521 HG22 HE22 ' B' ' 97' ' ' GLN . 3.2 t -84.0 -26.1 29.44 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.451 HG13 HG23 ' B' ' 83' ' ' THR . 15.6 m -142.0 -178.73 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.913 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -132.21 43.56 3.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.903 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.99 -84.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.103 -170.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.33 10.96 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.537 -176.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -72.56 -18.83 61.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.0 110.9 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 43.8 t -119.47 125.99 50.24 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.664 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.41 -6.19 82.42 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 70.36 -71.21 0.13 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 123.625 0.77 . . . . 0.0 111.79 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 17.9 mmt -68.53 119.86 13.66 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.227 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -84.33 -41.98 16.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.373 -176.497 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.6 p -60.88 -41.4 95.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.938 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.31 -32.13 71.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.494 0.664 . . . . 0.0 110.268 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -37.27 83.04 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.482 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 0.1 OUTLIER -62.07 -35.86 79.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.366 177.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.548 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.6 mptm? -58.99 -43.39 91.47 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.785 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.08 -52.33 66.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -36.86 78.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.779 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.85 -46.03 89.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.398 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 98' ' ' LYS . 92.6 t -60.48 -37.75 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 110.63 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -61.04 -33.64 73.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.531 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.8 m-85 -72.27 -44.0 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.593 0.235 . . . . 0.0 110.482 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.1 mm? -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.666 177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.59 -33.41 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 75.9 p -81.2 -11.81 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.988 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 41.5 mt -106.06 -6.63 18.55 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.404 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' B' ' 110' ' ' TYR . 30.5 ttp180 -69.26 158.24 35.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.943 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.54 ' N ' ' HG2' ' B' ' 109' ' ' ARG . 83.2 t80 -50.37 128.83 20.64 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.69 33.87 41.12 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.83 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.62 -148.72 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.1 pt -112.76 -49.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.075 0.464 . . . . 0.0 111.164 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -121.73 46.49 2.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -80.63 151.24 29.12 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.956 -171.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.32 142.82 49.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.5 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 1.3 pm0 -65.74 -26.65 67.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.287 -176.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.587 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -78.32 -44.01 26.37 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.289 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' B' ' 108' ' ' LEU . 43.2 mm -57.58 -41.07 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 31.2 tt0 -56.0 -56.33 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.377 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.54 -28.55 67.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.684 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 68.5 t80 -55.06 -58.71 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.519 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.1 p -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.711 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 30.4 mm-40 -70.36 -62.49 1.37 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 61.9 mt -57.86 -35.11 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.276 0.56 . . . . 0.0 110.665 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.1 tp -72.1 -53.64 12.2 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.418 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 127' ' ' LEU . 1.7 pp -65.47 -29.26 69.9 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.15 -51.01 67.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.109 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -77.77 -30.72 51.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.823 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 11' ' ' GLN . 73.3 mt -64.12 -29.77 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.992 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -91.57 -13.71 31.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 0.0 110.772 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -88.14 -4.04 58.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.169 0.509 . . . . 0.0 111.633 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.15 -18.89 6.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.894 0.854 . . . . 0.0 109.591 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -92.0 92.11 8.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.299 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.104 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.44 149.98 27.94 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.428 2.085 . . . . 0.0 111.989 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -82.0 71.51 9.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.777 0.799 . . . . 0.0 110.424 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.0 ptm -104.38 24.01 12.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.977 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.57 177.61 8.36 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.585 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.53 154.03 25.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.224 0.535 . . . . 0.0 110.186 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.28 22.79 2.72 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.636 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.3 pt-20 -63.73 -35.1 79.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.952 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.765 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 42.6 m-80 -60.7 -41.87 96.05 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.358 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -55.86 -39.85 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.62 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -73.79 -40.31 63.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 178.209 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 83.4 mt -55.85 -48.96 74.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.292 177.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 39.8 mt -53.59 -51.02 64.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.968 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -76.44 -28.65 56.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 19' ' ' LEU . 76.1 t80 -63.64 -54.9 28.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.04 -35.23 63.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.442 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 66.6 ttt180 -62.41 -46.1 90.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.968 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 22' ' ' VAL . 48.8 mt-10 -66.26 -34.77 78.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.091 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 15' ' ' PHE . 6.7 mp -53.81 -58.6 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 110.722 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.34 -21.05 68.11 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.0 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.12 -33.34 59.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.884 0.342 . . . . 0.0 111.349 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG23 ' HG ' ' A' ' 24' ' ' LEU . 16.1 m -97.38 -19.53 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.029 0.442 . . . . 0.0 110.86 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.0 29.85 4.17 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.079 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.5 mt -95.64 0.53 52.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.119 0.485 . . . . 0.0 110.555 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD13 ' HA ' ' B' ' 74' ' ' ALA . 2.2 mt -113.94 -20.74 10.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.081 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.3 135.29 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.636 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.71 174.68 11.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.659 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.02 109.02 2.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.3 mt -83.18 135.92 34.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.463 -172.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -93.12 175.7 6.68 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.22 -41.36 68.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.791 0.329 . . . . 0.0 111.276 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.63 -33.11 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.059 0.457 . . . . 0.0 110.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -79.25 -26.48 42.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.118 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.8 mttt -81.92 -29.36 32.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.365 0.602 . . . . 0.0 109.841 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.426 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 12.9 t70 -66.22 -34.18 77.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.394 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -84.72 -24.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 59.7 mt -95.29 -54.8 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.665 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -92.96 -30.34 15.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.305 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 78.29 -61.16 3.88 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.373 -175.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.917 -179.554 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.761 0.315 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -123.59 -159.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -80.36 168.24 19.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.25 179.561 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.92 172.74 6.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.65 175.94 8.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.02 0.438 . . . . 0.0 110.969 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -95.13 -44.86 7.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.345 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 37.6 m -82.39 123.05 28.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.838 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.45 -32.52 74.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.229 -176.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.49 -33.3 73.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.652 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -86.94 -40.91 14.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.24 0.543 . . . . 0.0 110.512 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -54.46 -38.21 66.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.633 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.89 -49.5 62.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.568 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -65.98 -35.22 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 35.9 t80 -61.13 -39.24 89.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.612 0.244 . . . . 0.0 110.872 -176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.334 0.588 . . . . 0.0 110.818 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -78.37 -0.46 29.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.71 -172.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -128.72 83.66 2.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.452 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.76 -18.88 65.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.531 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.582 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -76.91 -22.49 53.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.939 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.86 -35.45 24.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -65.88 -36.54 83.7 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.45 -20.69 60.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 111.087 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.453 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -73.79 -23.8 59.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 35.3 mt -82.32 16.21 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.205 0.526 . . . . 0.0 110.808 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -101.67 10.01 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.263 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.652 ' O ' HG22 ' B' ' 69' ' ' VAL . 59.6 m-85 -109.96 114.62 28.3 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -62.44 -29.37 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.234 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' B' ' 118' ' ' ALA . 3.2 m -83.35 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.605 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 58.0 mtpt -60.56 -38.91 86.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.028 0.442 . . . . 0.0 109.812 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.704 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 52.9 t80 -55.97 -52.39 64.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.612 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -71.13 -38.4 72.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 85.3 mt -64.64 -48.97 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 111.066 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.61 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 51.3 mtpt -63.55 -36.77 84.87 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.699 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -75.11 -34.19 30.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 12.2 t80 -57.78 -41.2 81.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 72.3 mtp180 -58.81 -34.97 72.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.757 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.503 HG23 ' HB ' ' B' ' 83' ' ' THR . 73.6 mt -64.0 -40.43 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.713 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.13 -16.64 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.942 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.95 -50.74 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 172.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 61.3 m -166.4 119.25 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.709 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.503 ' HB ' HG23 ' B' ' 79' ' ' ILE . 6.1 t -87.76 -22.48 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 8.5 m -145.87 -179.28 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.02 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -83.21 24.39 0.8 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.738 0.304 . . . . 0.0 111.475 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -160.77 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.826 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.39 78.34 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.415 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 45.5 m -82.38 129.98 35.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -120.93 -168.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.252 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.57 -60.24 3.53 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.94 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -143.86 19.17 1.81 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.084 0.469 . . . . 0.0 110.749 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 40.8 mtm -104.09 -85.17 0.47 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 50.0 t30 60.55 -79.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.785 0.678 . . . . 0.0 111.489 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' SER . . . . . 0.431 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 5.2 p -60.91 -32.12 71.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 0.0 110.625 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.47 -32.37 69.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.057 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.556 HD12 HD23 ' B' ' 100' ' ' LEU . 0.2 OUTLIER -74.81 -38.2 62.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.468 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 74.8 mm-40 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.815 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.516 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.0 mptp? -54.54 -48.75 71.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.501 173.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.14 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.721 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.556 HD23 HD12 ' B' ' 96' ' ' LEU . 4.6 mm? -61.32 -36.38 79.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.204 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 98' ' ' LYS . 78.0 t -58.28 -38.14 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.779 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.37 -36.77 71.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.72 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.8 m-85 -72.4 -43.22 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.849 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.26 -26.97 68.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.553 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.15 -34.77 73.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.214 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 78.3 p -78.48 -16.49 57.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.67 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 59.0 mt -98.58 3.09 47.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.419 HH22 ' NE2' ' B' ' 124' ' ' GLN . 2.0 tpt85 -76.27 160.03 30.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.682 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -64.38 111.67 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.41 40.88 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.032 -175.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.84 -141.1 0.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.302 -0.475 . . . . 0.0 111.948 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 pt -113.52 -43.71 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 122.558 -0.378 . . . . 0.0 111.65 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -131.78 46.03 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.5 p90 -72.91 146.76 45.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.143 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.554 ' HB2' HG12 ' B' ' 119' ' ' ILE . 75.8 m-20 -111.41 139.64 46.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.0 -31.73 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.951 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.06 -28.61 54.76 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.474 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.554 HG12 ' HB2' ' B' ' 116' ' ' ASN . 33.1 mm -65.84 -41.75 90.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.1 0.476 . . . . 0.0 109.874 174.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 0.5 OUTLIER -59.78 -54.18 49.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.583 177.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.905 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.08 -58.87 6.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.304 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.6 p -61.6 -41.06 96.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 80.2 mm-40 -59.16 -62.31 1.98 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.03 0.206 . . . . 0.0 111.22 -177.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.582 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -55.29 -42.01 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.41 0.624 . . . . 0.0 111.322 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -70.98 -59.4 2.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.464 -175.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.5 pp -58.21 -31.73 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.42 -49.25 72.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.961 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.568 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.8 mmtt -77.99 -28.9 49.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.584 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 11' ' ' GLN . 91.7 mt -70.23 -24.49 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 176.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -95.95 -8.44 33.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.85 0.357 . . . . 0.0 110.996 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.84 -6.48 57.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.192 0.52 . . . . 0.0 111.219 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.39 -17.18 7.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.75 0.786 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -75.63 120.66 21.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.342 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 11.8 mptt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.719 -0.658 . . . . 0.0 109.905 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.64 50.78 3.5 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.924 2.416 . . . . 0.0 112.182 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 62.14 57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.073 -174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.456 ' SD ' ' HB ' ' B' ' 102' ' ' VAL . 85.1 mtp 66.01 -162.01 0.25 Allowed 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.075 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -80.38 129.77 34.73 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.77 160.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.872 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -117.21 11.6 14.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.497 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.9 pt-20 -64.79 -45.78 84.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.755 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 p30 -55.0 -31.11 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.455 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -57.88 -30.52 65.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.4 mm100 -84.34 -38.14 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.98 0.419 . . . . 0.0 110.158 176.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 8' ' ' GLU . 10.0 mp -56.45 -49.32 74.95 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.387 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 52.2 mt -53.84 -53.72 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.669 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -37.37 85.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.012 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' HD13 ' A' ' 19' ' ' LEU . 79.3 t80 -60.5 -55.95 27.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.305 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.24 -35.58 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -64.24 -44.85 90.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' VAL . 67.6 mt-10 -64.66 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.398 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 15' ' ' PHE . 8.0 mp -58.14 -56.83 16.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 175.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.71 70.75 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.521 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.66 -37.39 79.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.508 0.194 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 HD13 ' A' ' 24' ' ' LEU . 6.4 m -104.21 -22.54 4.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.81 37.6 1.04 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.027 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 HG23 ' A' ' 22' ' ' VAL . 1.6 mp -96.99 -15.01 21.29 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.555 0.693 . . . . 0.0 110.008 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' B' ' 74' ' ' ALA . 9.5 mt -99.83 -15.11 18.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.878 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.38 125.33 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.039 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' HD1' ' O ' ' A' ' 25' ' ' LEU . 48.8 p90 -140.73 176.97 8.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.982 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.2 135.02 20.03 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.35 135.83 54.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.9 p -84.6 175.29 9.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.833 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.89 -41.27 82.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.32 -50.24 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.5 mt-10 -64.4 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.8 -32.42 52.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 110.361 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.052 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.87 -22.67 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.413 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 63.3 mt -93.91 -53.23 4.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.01 -177.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -80.08 -24.94 40.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.58 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.13 6.33 67.87 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.534 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.108 178.743 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -110.08 -171.96 1.94 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 170.18 8.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.574 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.6 p -101.51 166.73 10.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.839 0.352 . . . . 0.0 111.44 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 19' ' ' LEU . 52.9 mt -80.38 178.77 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.852 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.2 mmmm -89.68 -48.7 7.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.31 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -88.19 127.63 35.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.028 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.41 -35.22 80.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.82 -20.41 65.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.785 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.16 -44.23 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.224 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.2 t70 -55.96 -35.75 67.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.859 -178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -50.38 -51.04 49.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.355 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.525 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.2 mp -66.8 -39.79 84.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.887 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -61.67 -33.79 74.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.574 ' NE2' HG22 ' B' ' 44' ' ' THR . 70.0 mm-40 -86.82 -24.19 25.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -104.88 17.02 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.12 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -141.76 99.79 3.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.229 0.538 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.4 -21.88 55.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.28 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.0 pt-20 -80.04 -24.33 40.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.42 -35.46 25.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.55 -39.77 92.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.626 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.61 -22.78 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.649 0.261 . . . . 0.0 111.595 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.94 -30.23 65.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -82.12 4.41 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.13 -17.75 28.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -88.87 122.83 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.777 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.14 -26.48 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.2 m -69.89 -36.43 75.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.825 0.822 . . . . 0.0 109.87 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 87.5 t -75.86 -56.53 8.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.533 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.45 -22.38 66.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.441 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.65 -51.01 71.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.1 0.476 . . . . 0.0 110.638 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -71.29 -28.16 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.135 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt -74.63 -46.16 40.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.924 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -63.91 -23.24 67.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.361 -0.212 . . . . 0.0 111.531 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.555 0.216 . . . . 0.0 110.796 171.771 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -75.09 -27.7 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.46 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.44 -40.01 81.39 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.063 0.459 . . . . 0.0 110.486 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.56 -32.83 74.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.177 0.513 . . . . 0.0 110.068 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -43.26 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.853 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.1 mm? -65.49 -10.25 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.017 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.3 m -92.81 -52.16 4.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.244 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 12.6 m -174.25 139.27 0.61 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 122.616 0.367 . . . . 0.0 110.865 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.575 ' HB ' HE22 ' B' ' 97' ' ' GLN . 9.0 t -97.07 -23.34 16.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.254 0.55 . . . . 0.0 109.657 173.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.24 -177.31 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.841 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -127.85 27.9 5.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.032 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.2 -42.69 83.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.772 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.67 -11.84 57.91 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 29.5 m -79.03 116.86 19.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.3 m -152.58 77.7 1.19 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.726 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.0 -75.44 1.13 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.227 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -152.97 16.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.678 0.275 . . . . 0.0 111.482 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.24 -29.55 3.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.628 -177.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 40.5 t30 -59.26 -46.84 87.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.759 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' SER . . . . . 0.515 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 40.3 t -66.48 -31.47 72.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 14.0 t70 -68.21 -39.7 82.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.102 0.477 . . . . 0.0 109.775 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.0 OUTLIER -71.69 -29.84 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 -179.325 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 13.1 mm100 -61.91 -37.32 84.19 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.557 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.6 mptp? -55.54 -44.64 76.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 175.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.5 -51.4 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -33.21 73.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.89 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.57 -51.09 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.221 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 98' ' ' LYS . 40.9 t -61.28 -34.57 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -53.13 -36.26 60.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.407 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.3 m-85 -74.86 -42.11 58.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.389 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.69 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.398 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -101.42 -2.05 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 109.95 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.4 mm? -103.29 -13.68 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.18 152.62 39.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.081 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.41 121.53 3.48 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.72 0.638 . . . . 0.0 110.888 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.98 56.87 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.705 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 -170.07 11.9 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.267 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 114' ' ' HIS . 21.5 pt -84.17 -49.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.438 ' N ' HG13 ' B' ' 113' ' ' ILE . 26.3 m80 -127.25 39.77 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -74.87 136.35 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.429 0.633 . . . . 0.0 110.523 -174.293 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.57 ' HB2' HG12 ' B' ' 119' ' ' ILE . 14.7 m120 -108.16 135.05 50.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.632 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -63.95 -28.04 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -75.28 -22.44 57.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.462 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.57 HG12 ' HB2' ' B' ' 116' ' ' ASN . 26.2 mm -76.62 -37.14 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.44 -49.02 78.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.013 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.03 -60.71 2.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.996 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 p -60.17 -39.97 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.135 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -62.64 -58.35 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' B' ' 59' ' ' GLU . 52.7 mt -59.48 -41.17 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.57 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.82 -60.35 2.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.757 -174.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -34.87 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -175.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.28 -40.15 93.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.68 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.422 ' CB ' HG12 ' B' ' 53' ' ' ILE . 34.9 mmtp -77.14 -30.5 55.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.636 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 11' ' ' GLN . 62.3 mt -73.81 -22.18 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.829 0.347 . . . . 0.0 111.214 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -85.94 -17.12 36.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.102 0.477 . . . . 0.0 110.149 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -90.12 0.37 57.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.811 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.15 -23.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.075 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 130' ' ' LEU . 40.3 mtmt -87.57 101.68 13.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.564 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.905 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.59 137.52 33.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.615 2.21 . . . . 0.0 112.155 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -74.08 76.12 1.74 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.376 0.607 . . . . 0.0 110.926 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.3 mtm -74.38 139.79 44.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.814 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -66.22 129.08 38.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.15 167.16 10.39 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.028 -174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -125.06 13.06 8.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.603 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -58.03 -46.42 85.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.243 -179.471 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.785 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.571 0.224 . . . . 0.0 110.924 177.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -66.77 -31.66 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.205 0.526 . . . . 0.0 110.122 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' B' ' 130' ' ' LEU . 66.8 mm-40 -76.6 -43.31 39.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.527 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.4 mp -50.2 -54.56 20.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.825 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.2 mt -54.27 -50.78 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.907 -172.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 2.3 t70 -76.73 -27.12 55.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.438 -174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 68.8 t80 -62.62 -52.69 62.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.128 0.49 . . . . 0.0 109.935 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.17 -39.34 72.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.222 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 40.5 ttt180 -61.73 -43.89 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.766 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 57.7 mt-10 -61.83 -39.03 90.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 mt -57.49 -47.5 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.163 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.79 -24.41 76.35 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.652 -0.703 . . . . 0.0 113.236 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.17 -30.83 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.429 0.615 . . . . 0.0 111.243 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.4 m -101.79 -11.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.539 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.47 37.4 5.59 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.057 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' HG23 ' A' ' 22' ' ' VAL . 94.7 mt -103.26 -23.72 13.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.354 0.597 . . . . 0.0 109.931 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 73' ' ' LEU . 66.5 tp -92.08 -11.4 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.802 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.11 144.03 55.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.42 175.19 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.157 0.503 . . . . 0.0 111.495 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -147.69 127.38 13.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.711 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 73.9 mt -108.3 133.66 52.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.955 0.407 . . . . 0.0 111.986 -173.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 175.25 7.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.391 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -56.87 -41.44 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.419 . . . . 0.0 110.66 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.22 -43.2 95.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.696 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.596 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.1 mm-40 -67.88 -32.32 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.327 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.7 mttt -73.48 -30.4 63.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.328 0.585 . . . . 0.0 109.739 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.15 -34.87 68.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.078 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.47 -25.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.626 0.25 . . . . 0.0 111.373 -177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.7 mt -94.3 -48.95 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.627 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -83.27 -17.68 41.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.315 0.579 . . . . 0.0 110.061 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.18 -0.36 89.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.196 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.498 177.178 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.98 0.419 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.41 ' HB3' ' H ' ' B' ' 43' ' ' LYS . 4.1 m-20 -95.04 -161.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.665 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -83.14 161.96 21.44 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.43 HG22 ' NE2' ' B' ' 55' ' ' GLN . 4.2 p -108.52 165.52 11.47 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.545 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 19' ' ' LEU . 42.9 mt -77.1 179.77 6.08 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.247 0.546 . . . . 0.0 111.954 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -86.36 -41.81 14.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -99.31 129.94 45.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.976 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.38 -31.89 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.871 0.367 . . . . 0.0 110.686 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.24 63.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -98.99 -44.91 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.153 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.9 t70 -55.63 -36.01 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.457 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.88 -46.95 64.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.472 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.1 mp -70.34 -41.3 78.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.881 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.489 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 89.7 t80 -59.45 -37.86 79.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.894 0.378 . . . . 0.0 110.944 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.8 mm-40 -81.11 -21.04 40.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -113.85 31.99 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.405 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -147.49 102.8 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.063 0.458 . . . . 0.0 110.53 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.61 -32.22 57.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.381 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 12.6 mm-40 -66.77 -36.17 81.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.314 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.53 -28.51 61.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.86 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 6.6 tp-100 -78.34 -36.63 46.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.569 -178.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 20.1 pt-20 -62.83 -29.41 70.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.025 0.441 . . . . 0.0 110.346 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.38 -38.2 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.19 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.12 5.4 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.535 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 30.4 mmmt -97.38 -14.52 21.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.106 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -83.8 132.8 34.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -67.96 -27.19 66.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 37' ' ' LEU . 80.0 m -74.98 -34.4 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.499 0.666 . . . . 0.0 110.259 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.419 HG13 HD13 ' B' ' 119' ' ' ILE . 92.0 t -71.69 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.115 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -55.25 -36.8 66.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.73 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.529 ' CG ' HD13 ' A' ' 37' ' ' LEU . 54.6 t80 -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.302 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -71.5 -35.98 70.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.647 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.8 mt -72.0 -33.4 68.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.671 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.72 -31.41 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.797 0.332 . . . . 0.0 110.623 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.7 mtpt -65.23 -29.66 70.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.647 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.3 m -83.54 -31.3 8.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.601 -0.44 . . . . 0.0 109.832 177.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.1 t80 -59.56 -38.57 81.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.046 0.451 . . . . 0.0 110.141 176.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 93.4 mtt180 -59.72 -32.09 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.327 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -71.17 -54.43 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.544 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -59.74 -23.94 63.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.681 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -76.71 -52.18 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.987 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -177.4 111.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.513 0.508 . . . . 0.0 110.571 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.612 ' HB ' HE22 ' B' ' 97' ' ' GLN . 6.3 t -87.39 -33.89 18.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 14.2 m -143.78 152.5 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.111 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -128.23 30.73 5.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.45 -37.73 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.078 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.31 -16.94 8.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.549 175.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -67.62 119.48 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.16 0.48 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -147.65 35.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.75 -44.52 96.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.753 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -97.86 23.35 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.578 ' HG3' ' H ' ' B' ' 95' ' ' ASP . 17.9 tpp 64.59 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 122.9 1.334 . . . . 0.0 112.432 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.564 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 27.2 t30 -67.52 -39.51 85.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.235 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.3 t -64.01 -36.59 84.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.049 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.578 ' H ' ' HG3' ' B' ' 92' ' ' MET . 24.8 t70 -65.38 -36.31 83.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.407 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -72.39 -31.17 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.18 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.612 HE22 ' HB ' ' B' ' 83' ' ' THR . 0.0 OUTLIER -63.94 -39.77 94.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.588 177.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.9 mptt -55.25 -48.1 74.45 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.366 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.35 -54.09 50.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.96 -37.48 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.19 -48.49 73.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 48.0 t -63.48 -32.71 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 0.0 110.709 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -54.21 -35.11 62.04 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.633 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.1 m-85 -73.65 -46.41 46.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.5 mm? -60.19 -33.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.47 -37.11 86.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.89 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 59.2 p -81.6 -5.51 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.998 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 84.4 mt -104.07 -9.33 18.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.671 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.88 170.19 9.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -48.08 131.72 15.77 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.299 0.571 . . . . 0.0 111.872 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.56 45.52 7.3 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.212 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.02 -166.56 12.4 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.593 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.9 pt -95.43 -44.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.903 0.382 . . . . 0.0 111.407 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -126.12 40.38 3.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -78.92 143.44 35.83 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.068 -170.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -134.04 132.89 40.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.105 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.49 -23.97 67.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.666 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.5 65.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -75.44 -39.07 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.34 -45.85 86.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.952 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -44.45 94.25 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.207 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -51.75 -54.47 28.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.187 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.31 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.558 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 80.1 mm-40 -66.36 -51.92 52.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.257 -171.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.11 -39.43 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.179 0.514 . . . . 0.0 110.926 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.468 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -70.45 -58.4 3.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.998 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.5 pp -59.35 -31.1 68.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.505 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 16.8 t70 -54.79 -48.92 72.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.801 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.468 ' HB2' HG12 ' B' ' 53' ' ' ILE . 61.0 mmtt -80.09 -27.82 39.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.951 -175.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 11' ' ' GLN . 90.9 mt -70.43 -35.03 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.632 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -81.73 -9.37 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.077 0.465 . . . . 0.0 110.267 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -96.03 2.23 53.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.291 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 5.7 p -117.02 -38.12 2.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -78.68 115.94 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.686 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.46 ' HD2' ' H ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.268 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.63 115.27 2.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.611 2.207 . . . . 0.0 111.928 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -83.43 84.78 7.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.424 0.63 . . . . 0.0 109.981 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptm -91.45 29.09 1.54 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.849 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.58 157.92 45.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -171.47 153.09 3.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -140.81 19.37 2.32 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.594 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -61.7 -33.58 74.26 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 169.307 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 p30 -59.14 -28.52 66.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.103 -175.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 m -52.29 -36.69 53.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 110.761 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' B' ' 130' ' ' LEU . 87.4 mm-40 -83.88 -38.29 21.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.9 mp -57.9 -47.63 82.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.011 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 71.4 mt -55.83 -49.64 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.262 -173.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 8.3 m-20 -66.0 -36.44 83.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 t80 -62.03 -54.0 47.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 19' ' ' LEU . 68.7 mt -59.95 -37.9 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 0.0 110.433 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 72.1 ttt180 -62.17 -47.45 84.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.758 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 52.9 mt-10 -63.27 -31.92 73.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.6 mt -57.7 -51.57 69.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.066 0.46 . . . . 0.0 110.008 176.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.82 -26.08 74.63 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.215 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -68.6 -37.25 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.217 0.509 . . . . 0.0 111.389 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 18' ' ' GLU . 26.1 m -99.01 -20.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.324 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 103.61 38.08 2.86 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.012 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -107.87 -10.61 15.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.403 0.62 . . . . 0.0 110.492 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 74' ' ' ALA . 60.1 tp -97.38 -2.24 42.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.666 171.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 6.2 pt-20 -53.77 141.67 26.08 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.501 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -150.69 167.34 27.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.352 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -153.98 114.49 3.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 56.0 mt -93.15 133.11 36.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.117 -172.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -96.93 179.53 4.91 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.39 -38.51 71.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 110.698 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -66.08 -42.77 88.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 15.4 mm-40 -71.65 -33.73 69.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.158 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 99.1 mttt -79.73 -22.03 43.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 23.9 t70 -72.73 -32.83 66.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.931 -177.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -84.33 -26.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.918 0.39 . . . . 0.0 111.118 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 56.6 mt -93.9 -55.3 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.274 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -92.4 -25.07 18.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.241 0.543 . . . . 0.0 110.67 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 80.07 14.72 80.2 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.07 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.3 -176.369 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.238 0.542 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -123.23 160.12 27.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.87 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.418 ' HE2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -62.64 160.48 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.542 0.687 . . . . 0.0 111.213 176.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.5 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -112.5 178.09 4.42 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.304 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.515 HD21 HD23 ' A' ' 19' ' ' LEU . 50.7 mt -75.73 -176.48 3.34 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.413 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 35.5 mtpt -92.34 -46.42 7.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.317 0.579 . . . . 0.0 109.943 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -89.08 126.52 35.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 174.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -67.76 -33.45 74.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.811 0.338 . . . . 0.0 110.717 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.855 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.26 -45.95 7.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.16 0.505 . . . . 0.0 109.967 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.14 -35.43 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.109 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -53.41 -48.48 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.37 -41.75 89.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 0.0 110.827 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -58.39 -35.77 72.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.726 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.1 mm-40 -86.23 -17.19 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -113.81 28.97 8.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -147.0 90.53 1.91 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.05 0.452 . . . . 0.0 111.074 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.29 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.671 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 28.7 mt-10 -65.03 -45.35 85.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.068 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.55 -34.81 79.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -70.64 -40.13 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.828 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.9 pt-20 -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 110.88 -174.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 44.9 mt -74.18 -33.06 63.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.301 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.578 ' O ' ' HD3' ' B' ' 70' ' ' LYS . 33.0 mt -77.78 17.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -104.17 -5.64 21.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.571 ' O ' HG22 ' B' ' 69' ' ' VAL . 94.4 m-85 -93.84 118.29 31.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 83.5 m-20 -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -59.01 -39.05 80.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 111.422 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -83.33 -40.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' B' ' 64' ' ' LEU . 57.8 mtmt -62.62 -36.76 83.81 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.26 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.565 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 50.6 t80 -55.17 -49.62 71.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.79 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -69.63 -38.31 77.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.131 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.8 mt -68.19 -36.87 80.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.01 -26.14 65.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 58.9 mtpt -66.67 -32.02 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -79.32 -31.66 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.728 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.39 -36.91 79.21 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.285 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 21.2 mtm180 -59.19 -34.11 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.212 0.53 . . . . 0.0 110.144 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.43 -46.38 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.262 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -68.54 -10.95 59.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.201 0.524 . . . . 0.0 110.464 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t -85.27 5.8 28.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.757 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' SER . . . . . 0.442 ' HA ' ' HG3' ' B' ' 97' ' ' GLN . 52.5 m 73.6 141.65 0.06 Allowed 'General case' 0 C--N 1.34 0.181 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.532 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.6 t -72.86 -15.62 61.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 m -134.23 175.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.993 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -98.94 23.59 8.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.195 0.522 . . . . 0.0 110.744 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -105.43 -52.0 2.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.339 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' B' ' 88' ' ' SER . . . 80.2 -2.95 74.1 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 115.779 -0.646 . . . . 0.0 113.097 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' B' ' 87' ' ' GLY . 31.4 t 71.71 144.17 0.06 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.694 0.759 . . . . 0.0 111.359 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.9 p -97.21 -3.85 40.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.713 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.07 4.44 31.79 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.974 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 59.35 33.14 22.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 114.924 -0.638 . . . . 0.0 111.773 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 76.3 mmm -95.48 -50.15 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.675 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 25.8 t30 -55.27 -47.63 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -67.57 -27.28 66.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.141 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.538 ' HA ' ' HD3' ' B' ' 98' ' ' LYS . 29.2 t70 -80.69 -32.97 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.687 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.9 pp -70.52 -26.76 63.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.636 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.9 mm100 -58.24 -34.34 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.426 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.62 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -59.08 -44.47 91.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.82 -47.9 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.46 -33.08 74.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.82 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.071 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.8 t -60.23 -36.24 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.547 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -57.12 -30.04 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.274 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.637 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.4 m-85 -79.54 -40.06 30.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.603 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.5 -29.62 67.3 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.799 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -69.37 -34.12 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.377 . . . . 0.0 110.715 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 45.0 p -81.69 -14.38 56.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.6 mt -95.5 -2.88 47.74 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.007 174.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -89.67 164.7 14.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.156 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.588 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 49.1 t80 -49.38 132.55 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 111.466 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.36 72.3 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.729 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.89 -152.45 22.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.281 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 pt -115.47 -33.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 0.0 111.267 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -130.79 39.39 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.572 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -76.0 139.09 41.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.352 0.596 . . . . 0.0 110.509 -174.271 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -118.39 144.74 45.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.779 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.81 72.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.081 -176.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -84.09 -29.77 26.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 108' ' ' LEU . 41.3 mm -64.38 -43.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.64 176.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.588 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 19.4 mt-10 -61.93 -48.68 79.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.695 176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.96 -41.73 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -55.39 -61.74 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.442 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' CYS . . . . . 0.474 ' HB2' HD21 ' A' ' 12' ' ' LEU . 26.2 p -59.73 -41.12 90.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.239 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 84.1 mm-40 -70.1 -46.1 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 -174.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.81 -35.65 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.555 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.507 HD13 HD12 ' B' ' 130' ' ' LEU . 1.2 tm? -68.98 -59.78 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.057 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 1.9 pp -57.42 -30.54 65.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.8 t70 -54.25 -51.28 65.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.122 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -81.22 -31.33 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.697 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.507 HD12 HD13 ' B' ' 126' ' ' LEU . 13.7 mt -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -91.47 -1.85 57.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.852 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.56 -1.27 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.56 -24.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.466 0.65 . . . . 0.0 109.75 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -74.09 103.5 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.716 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.819 178.288 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.4 112.93 2.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.436 2.09 . . . . 0.0 111.787 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -72.37 74.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.434 0.635 . . . . 0.0 111.164 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 mtm -81.73 147.18 29.6 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.753 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -95.87 142.28 28.32 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -106.88 96.27 6.32 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.25 0.547 . . . . 0.0 110.164 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -111.92 7.95 20.16 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.906 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.8 pm0 -59.98 -34.21 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.19 0.519 . . . . 0.0 109.74 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.746 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 p30 -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.106 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 t -59.49 -38.61 81.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.084 0.468 . . . . 0.0 109.775 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HB3' HD13 ' B' ' 130' ' ' LEU . 84.2 mm-40 -72.59 -37.04 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.088 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 90.9 mt -56.72 -52.68 64.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 173.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 63.5 mt -57.48 -45.96 84.26 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.171 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.89 -36.23 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.342 -176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CD1' HD21 ' B' ' 126' ' ' LEU . 62.3 t80 -69.77 -52.77 22.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.627 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 19' ' ' LEU . 83.9 mt -54.73 -39.64 48.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.592 0.71 . . . . 0.0 110.414 177.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.522 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 68.7 ttt180 -61.63 -45.6 93.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.315 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.73 -28.79 69.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.592 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 45' ' ' LEU . 47.6 mt -62.91 -52.02 64.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.364 0.602 . . . . 0.0 110.145 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.76 -20.94 74.69 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.702 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.38 -38.36 74.71 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.16 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HD3' ' B' ' 46' ' ' LYS . 5.6 m -98.14 -19.82 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 111.349 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.45 38.11 2.89 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.82 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.9 mt -97.54 -27.45 14.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 110.127 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.4 tp -86.96 -17.07 33.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.71 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.35 142.42 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HE2' ' CB ' ' B' ' 74' ' ' ALA . 49.0 p90 -143.69 178.73 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 -171.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.21 133.78 23.48 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.39 139.31 51.03 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.969 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 p -92.34 171.22 9.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.779 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -56.31 -38.06 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.87 0.367 . . . . 0.0 111.304 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -67.37 -40.44 85.75 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.313 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.6 mt-10 -72.81 -28.73 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.64 -26.55 57.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.017 0.437 . . . . 0.0 110.257 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.99 -35.23 76.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.078 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -84.22 -23.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.91 0.385 . . . . 0.0 111.263 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.3 mt -93.61 -52.47 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.182 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -81.1 -24.46 37.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.991 0.424 . . . . 0.0 110.508 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.17 2.52 70.07 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.5 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.591 -0.719 . . . . 0.0 110.071 179.094 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -132.81 -163.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.634 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -82.47 171.69 13.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.362 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.11 167.55 10.58 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.057 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 19' ' ' LEU . 39.1 mt -76.12 177.94 6.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 111.451 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.466 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.4 mmmm -84.91 -55.19 4.2 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.6 m -84.82 126.44 33.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.127 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -62.93 -35.23 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.405 ' O ' HD12 ' B' ' 53' ' ' ILE . . . -60.88 -36.43 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.627 177.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.11 -43.87 20.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.842 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.8 t70 -56.66 -34.88 67.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.38 -52.68 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.223 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.4 mp -67.09 -40.99 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.888 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.87 -36.97 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.052 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 72.1 mm-40 -83.26 -19.87 35.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.994 0.426 . . . . 0.0 110.457 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -110.77 30.57 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -146.13 85.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.219 0.533 . . . . 0.0 111.181 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.7 67.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 59' ' ' GLU . 1.4 pm0 -77.7 -20.33 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 tp -85.54 -45.91 11.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -56.09 -28.94 59.7 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.942 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.3 pt-20 -74.45 -24.06 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.693 -177.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.56 -33.44 47.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.037 0.446 . . . . 0.0 110.162 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.76 11.06 2.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.346 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.62 -9.38 23.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 109.883 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 90.2 m-85 -88.59 122.53 32.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.565 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.31 -23.46 67.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.928 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -67.24 -48.26 68.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' B' ' 119' ' ' ILE . 55.8 t -60.12 -57.84 9.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.769 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 24.3 mtpp -53.11 -37.14 61.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.375 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.07 -53.02 60.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.4 -36.01 82.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.975 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.64 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.1 mt -73.26 -33.23 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.52 -32.43 73.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 0.0 110.774 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -62.81 -31.95 73.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.031 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.64 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -83.29 -30.8 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 20.4 t80 -60.37 -36.34 77.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 97.3 mtt180 -58.46 -34.3 70.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.308 0.575 . . . . 0.0 110.563 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -71.62 -46.41 62.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.01 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.522 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -71.18 -15.77 62.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -90.99 18.4 6.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.5 m 72.87 126.06 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.343 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -63.01 -24.43 67.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.372 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 9.7 m -127.88 149.24 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.846 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -85.36 35.33 0.59 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.277 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -105.1 -79.39 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.69 83.44 1.46 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.407 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.4 p -85.49 149.65 25.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.671 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.7 m -104.29 153.11 21.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.95 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.39 -57.37 4.89 Favored Glycine 0 C--N 1.33 0.22 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -86.0 81.28 8.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' MET . . . . . 0.404 ' HG3' ' H ' ' B' ' 92' ' ' MET . 52.6 mtp -42.79 120.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.344 -174.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASN . . . . . 0.546 ' HA ' HD23 ' B' ' 96' ' ' LEU . 2.9 t-20 -105.13 -54.75 2.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.798 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 10.8 p -59.74 -35.33 74.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.651 -175.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.86 -25.56 62.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.736 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.8 OUTLIER -79.04 -28.19 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.24 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.57 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -65.11 -30.49 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.755 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.572 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -58.06 -38.99 77.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.901 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.15 -55.83 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.037 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.87 -36.31 74.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.659 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.49 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.28 -49.49 75.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.722 178.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 98' ' ' LYS . 61.0 t -61.91 -36.19 72.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.531 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.14 -29.6 65.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.101 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.3 -48.49 19.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.898 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.2 mm? -62.26 -25.29 67.75 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.005 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.73 -14.24 62.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.521 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.2 p -97.93 -10.85 23.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.205 0.526 . . . . 0.0 109.657 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.3 mm? -100.11 -23.14 14.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.094 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -72.6 149.7 43.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.091 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -46.3 110.99 0.32 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.732 0.645 . . . . 0.0 111.443 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.61 -10.81 11.32 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.49 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.11 -173.81 46.4 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.778 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 23.2 pt -82.25 -41.65 18.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.951 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -121.7 45.42 2.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.8 OUTLIER -74.95 148.29 40.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.588 -174.427 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.528 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -126.51 138.93 53.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.281 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.44 -23.66 63.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.365 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.85 65.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.682 HG21 ' HB3' ' B' ' 108' ' ' LEU . 23.7 mm -75.23 -39.14 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 14.4 tp10 -60.18 -51.36 69.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.208 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.44 -40.39 90.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.473 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.73 -56.09 20.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 62.0 m -55.16 -50.21 69.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.535 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 77.6 mm-40 -64.44 -57.08 10.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.732 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 74.7 mt -57.44 -41.02 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.928 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -69.83 -61.08 1.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.122 -177.246 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.404 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.5 pp -60.51 -28.28 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.633 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 20.6 t70 -57.49 -47.26 82.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 0.0 110.551 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' B' ' 53' ' ' ILE . 53.5 mmtt -77.81 -28.71 50.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.276 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' GLN . 89.4 mt -69.41 -32.92 72.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.642 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.429 ' HA ' ' HG2' ' B' ' 134' ' ' LYS . 45.0 m-80 -85.84 -10.47 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.034 0.445 . . . . 0.0 110.435 176.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.23 -7.81 50.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.237 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.51 -29.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.915 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' B' ' 131' ' ' ASN . 0.0 OUTLIER -67.51 128.12 35.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.835 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' B' ' 135' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.503 -0.76 . . . . 0.0 109.814 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.2 pt-20 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.361 0.124 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.792 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 8.5 m-80 -57.82 -41.92 83.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -55.91 -47.29 77.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.74 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.525 ' NE2' HD22 ' B' ' 130' ' ' LEU . 6.1 mt-30 -70.52 -38.94 74.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.9 mp -54.13 -43.13 70.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.28 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 58.3 mt -61.96 -51.54 67.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.438 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -69.73 -28.0 65.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.764 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.662 ' CD2' HD11 ' B' ' 126' ' ' LEU . 64.5 t80 -61.01 -57.24 13.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.787 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 72.9 mt -59.21 -35.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.655 0.74 . . . . 0.0 110.299 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 59.3 ttt180 -60.62 -43.01 97.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.133 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 52.9 mt-10 -66.11 -35.21 79.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.045 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 15' ' ' PHE . 9.7 mp -54.09 -51.7 63.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.96 0.41 . . . . 0.0 110.548 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.54 -17.19 77.75 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.234 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.03 -30.62 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 111.08 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG23 ' HG ' ' A' ' 24' ' ' LEU . 23.1 m -101.58 -17.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.61 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.14 32.23 3.83 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.844 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.8 mt -101.41 -6.69 23.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.006 0.431 . . . . 0.0 110.164 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 22.7 tp -105.99 -4.22 20.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.485 0.659 . . . . 0.0 110.706 -175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.03 142.69 45.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.575 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.647 ' HB3' ' HG2' ' B' ' 70' ' ' LYS . 55.1 p90 -152.97 172.41 16.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 111.929 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 134.11 22.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.963 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.2 mt -117.9 135.07 54.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.911 0.386 . . . . 0.0 111.11 -177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -83.38 168.99 16.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -52.75 -44.07 66.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.02 -40.58 96.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.2 mt-10 -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.66 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -76.28 -29.49 57.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.223 0.535 . . . . 0.0 110.249 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.8 -34.33 69.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.233 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.98 -25.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 111.169 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 60.9 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.533 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mptt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.333 0.587 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.01 159.61 26.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.112 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 mt -74.01 171.86 12.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.338 0.589 . . . . 0.0 111.104 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -96.3 -36.59 10.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.121 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -93.65 124.52 37.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.869 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -65.14 -34.25 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.78 78.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -83.68 -41.04 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -55.14 -34.03 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.04 -50.9 63.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.049 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.2 mp -65.96 -47.32 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -55.67 -31.01 62.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.88 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.0 mm-40 -90.42 -22.13 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -107.75 26.44 10.31 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.7 m -147.08 88.3 1.72 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.162 0.506 . . . . 0.0 111.195 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.797 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 3.6 pm0 -68.73 -22.48 64.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.95 -37.64 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.501 ' HG3' ' NZ ' ' B' ' 65' ' ' LYS . 6.1 tp-100 -72.92 -33.23 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.42 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.25 -36.75 83.83 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.375 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 68.9 mt -68.18 -38.2 81.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.193 0.521 . . . . 0.0 110.434 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 31.4 tp -70.99 -9.12 57.43 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.301 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.501 ' NZ ' ' HG3' ' B' ' 61' ' ' GLN . 60.9 mttp -79.43 -24.66 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -72.04 128.34 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -64.55 -24.32 67.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -70.75 -38.31 73.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.497 0.665 . . . . 0.0 109.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.547 ' HA ' HD11 ' B' ' 119' ' ' ILE . 72.8 t -69.06 -57.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.856 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.647 ' HG2' ' HB3' ' A' ' 27' ' ' TYR . 4.1 tppp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 37' ' ' LEU . 40.8 t80 -61.86 -50.86 70.54 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -67.64 -27.71 67.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.424 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.484 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.9 mt -75.96 -28.3 57.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.422 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -69.62 -30.13 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.553 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.07 -39.2 81.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.484 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.3 m -84.1 -28.72 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.944 -176.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -61.14 -33.32 73.21 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -58.02 -38.62 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.118 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 68.6 mt -69.75 -49.43 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.602 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.7 mm? -64.93 -18.48 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.059 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 177.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 120.925 0.393 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.79 -30.77 70.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.471 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.8 mptt -52.61 -44.36 65.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.813 174.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -65.55 -51.94 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.18 -31.54 70.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.641 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -69.19 -48.76 61.22 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.564 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 98' ' ' LYS . 96.8 t -59.41 -35.75 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.691 0.281 . . . . 0.0 110.314 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -52.37 -35.24 50.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.421 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.2 m-85 -74.64 -51.57 14.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.65 -25.76 68.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.583 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.48 -23.46 66.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.698 0.285 . . . . 0.0 111.13 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.7 p -96.56 -4.58 41.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.163 0.506 . . . . 0.0 110.027 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.7 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -104.53 -24.28 13.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.677 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.4 ' HG2' ' SG ' ' B' ' 123' ' ' CYS . 30.9 mtp180 -82.16 -177.66 6.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.321 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -55.29 122.97 12.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.239 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.81 22.64 52.57 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.284 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.9 -159.51 32.33 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.646 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 pt -105.38 -42.43 7.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 120.8 0.333 . . . . 0.0 111.283 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -122.25 45.89 2.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -75.33 151.53 38.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.041 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.76 142.26 51.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.601 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.38 -36.14 79.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.993 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.83 -24.19 48.75 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.7 HG21 ' HB3' ' B' ' 108' ' ' LEU . 32.1 mm -80.08 -40.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 2.4 tm-20 -56.19 -52.18 65.35 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.09 -37.4 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 43.1 t80 -53.51 -54.24 40.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.603 0.24 . . . . 0.0 110.441 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' B' ' 109' ' ' ARG . 28.1 p -66.79 -38.25 86.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.799 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 77.9 mm-40 -62.88 -53.2 57.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.636 0.255 . . . . 0.0 111.216 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 59' ' ' GLU . 74.3 mt -62.96 -41.68 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.662 HD11 ' CD2' ' A' ' 15' ' ' PHE . 1.2 tt -60.96 -61.54 2.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.352 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.02 -25.87 68.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.21 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 35.6 t70 -55.23 -51.25 67.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.423 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.556 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.3 mmtt -76.35 -29.42 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.169 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.525 HD22 ' NE2' ' A' ' 11' ' ' GLN . 85.7 mt -64.19 -31.78 73.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.343 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -89.9 -18.52 25.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.349 . . . . 0.0 110.748 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.376 -179.18 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 120.756 0.312 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.796 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 m-80 -59.28 -40.97 87.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -55.56 -35.28 65.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.918 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 11' ' ' GLN . 6.9 mt-30 -79.6 -41.0 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.135 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 126' ' ' LEU . 8.5 mp -57.15 -42.66 81.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 177.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 77.5 mt -58.39 -51.32 70.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.816 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.1 m-20 -71.82 -26.02 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.043 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' B' ' 126' ' ' LEU . 50.3 t80 -63.57 -52.34 61.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.1 -36.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.377 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 49.4 ttt180 -63.23 -49.36 74.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.796 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 64.9 mt-10 -63.44 -38.76 92.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 110.209 177.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.03 -51.87 54.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.723 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.32 -31.53 68.7 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.996 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.75 -30.72 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.948 0.374 . . . . 0.0 111.713 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' GLU . 18.9 m -98.1 -9.39 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 0.0 110.888 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.55 7.98 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.099 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 87.5 mt -98.75 -18.3 18.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.406 0.622 . . . . 0.0 109.943 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 73' ' ' LEU . 56.6 tp -99.0 -8.33 25.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.375 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.11 144.25 57.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -145.41 175.55 10.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.728 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -146.28 124.98 12.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -106.17 130.27 54.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.53 . . . . 0.0 111.935 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -85.82 175.69 8.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.16 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.05 -39.71 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.83 -42.43 81.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.69 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.2 mm-40 -65.59 -30.77 71.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.48 -28.07 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.153 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.39 -34.82 73.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.16 -23.61 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 52.3 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.142 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.223 0 CA-C-O 121.383 0.611 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -115.29 170.45 8.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.295 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.64 174.04 11.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.085 0.469 . . . . 0.0 110.677 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.42 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 18.5 mtpp -92.57 -36.77 12.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.333 -173.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -92.28 125.2 36.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.25 -33.94 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.94 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -80.79 -44.62 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.431 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 31.5 t70 -55.77 -33.2 64.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.052 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -56.91 -48.19 78.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.164 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.21 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.5 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 42.8 t80 -60.39 -26.74 66.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.003 -177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.1 mm-40 -94.57 -17.01 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.25 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.7 m -108.62 87.35 2.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.446 0.641 . . . . 0.0 110.168 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.79 57.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.657 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' B' ' 125' ' ' ILE . 14.2 pt-20 -72.75 -19.93 61.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 109.853 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -77.27 -30.95 54.59 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -76.03 -36.53 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.564 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.8 pt-20 -62.9 -28.78 70.29 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.652 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 48.3 mt -71.15 -36.05 71.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.308 0.575 . . . . 0.0 109.677 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 25.9 mt -77.7 14.62 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.629 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 50.4 mtpt -105.39 -11.18 16.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.532 . . . . 0.0 109.721 175.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.451 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 97.4 m-85 -89.04 131.27 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.03 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.4 -23.77 63.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.93 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.8 m -73.88 -34.23 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.597 0.713 . . . . 0.0 109.728 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' B' ' 118' ' ' ALA . 90.7 t -68.97 -60.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.525 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 36.0 mtpt -55.15 -37.84 67.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.211 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.7 -51.03 70.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.939 0.399 . . . . 0.0 111.388 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -66.32 -34.71 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.204 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.584 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.0 mt -75.65 -33.41 60.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.46 -30.56 70.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.736 0.303 . . . . 0.0 110.759 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -76.88 -31.3 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.259 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.4 t80 -56.17 -41.33 75.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 32.6 mtm180 -61.82 -34.76 76.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -67.25 -45.2 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.01 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -63.73 -24.1 67.64 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.977 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.858 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.48 -24.41 67.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.518 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.4 mptt -51.2 -52.54 43.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.976 173.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -51.84 67.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.986 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.51 -34.59 78.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -66.39 -44.87 81.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.594 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 64.4 t -60.75 -35.36 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.753 0.311 . . . . 0.0 110.465 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.2 -29.61 61.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.584 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 5.2 m-85 -81.6 -42.2 20.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 105' ' ' LEU . 3.7 mm? -64.68 -31.46 72.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.487 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.28 -31.68 72.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.984 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.2 p -88.61 -6.55 57.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.137 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.582 ' HB3' HG21 ' B' ' 119' ' ' ILE . 74.5 mt -107.2 -18.31 13.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.394 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -79.6 172.66 13.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.18 137.46 57.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.332 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.52 39.62 14.4 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.791 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.74 -151.17 13.54 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.7 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -116.63 -39.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.669 0.271 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -131.75 46.52 2.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 4.2 p90 -81.13 151.23 28.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.962 -171.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.53 140.35 52.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.493 -177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.43 -31.68 71.62 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.953 -170.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -73.89 -27.46 61.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.833 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' B' ' 108' ' ' LEU . 30.5 mm -77.21 -38.22 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tm-20 -59.73 -51.59 69.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.463 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.31 -36.68 83.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -51.79 -53.58 38.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.833 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 65.0 m -59.31 -45.78 90.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.528 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 34.6 mm-40 -62.17 -55.11 31.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.533 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.565 HG21 ' HG3' ' B' ' 59' ' ' GLU . 77.1 mt -62.82 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 12' ' ' LEU . 39.6 tp -70.8 -51.06 29.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.656 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.422 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.1 pp -65.22 -26.87 68.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.23 -54.77 39.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -80.87 -24.11 38.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 38.9 mt -71.12 -25.63 62.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.235 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.96 -20.47 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.85 0.357 . . . . 0.0 111.006 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.294 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.1 pt-20 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 p30 -57.61 -40.6 79.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.596 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -65.94 -37.32 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 0.0 110.273 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 11' ' ' GLN . 13.5 mt-30 -71.89 -37.71 70.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.102 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.7 mp -54.45 -44.22 72.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.668 174.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 56.7 mt -58.54 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.149 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -37.79 80.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.4 t80 -63.8 -54.58 32.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.353 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 19' ' ' LEU . 69.1 mt -58.76 -38.89 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.483 0.658 . . . . 0.0 110.519 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -61.21 -46.5 90.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.94 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.43 -29.44 69.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.311 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 82.8 mt -57.73 -49.43 76.57 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 121.09 0.472 . . . . 0.0 109.862 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.43 -23.52 77.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.886 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.02 -44.95 71.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.658 0.266 . . . . 0.0 111.318 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.3 m -91.96 -19.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.152 0.501 . . . . 0.0 110.84 -175.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.69 38.13 3.05 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.543 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HG ' HG23 ' A' ' 22' ' ' VAL . 91.6 mt -96.28 -30.01 13.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.812 0.815 . . . . 0.0 109.235 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 73' ' ' LEU . 28.9 tp -86.27 -12.92 48.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.499 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 9.8 pt-20 -60.6 136.45 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.814 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 36.9 p90 -146.12 177.82 8.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.173 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -152.9 110.46 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 82.7 mt -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.721 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -82.74 170.23 15.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.732 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -53.32 -43.13 67.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.665 0.269 . . . . 0.0 111.349 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.7 -41.69 75.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.564 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 mt-10 -63.84 -28.21 69.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -81.19 -29.58 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.21 -30.61 67.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.148 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.9 m -83.9 -27.93 7.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.873 0.368 . . . . 0.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.436 HG23 ' NE2' ' B' ' 55' ' ' GLN . 3.8 m -135.75 150.95 49.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.452 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -69.3 167.97 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.982 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -98.18 -37.18 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.591 -173.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -91.47 121.44 33.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.986 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 15.0 tppt? -64.18 -32.63 74.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.427 -176.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.69 70.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -94.07 -36.66 12.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' B' ' 45' ' ' LEU . 22.9 t70 -55.41 -34.89 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.99 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -51.78 -51.01 59.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.869 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.47 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.1 mp -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.584 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HD22 ' A' ' 24' ' ' LEU . 33.5 t80 -59.48 -37.55 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.436 ' NE2' HG23 ' B' ' 44' ' ' THR . 56.2 mm-40 -86.86 -29.47 22.16 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.031 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.405 HD22 ' N ' ' B' ' 56' ' ' ASN . 1.1 m-80 -89.39 10.17 23.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.896 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -138.11 103.25 4.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.378 0.608 . . . . 0.0 110.785 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -23.68 52.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 26.2 mt-10 -68.1 -44.32 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.817 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.29 -36.0 80.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.486 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -64.41 -41.22 96.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.5 pt-20 -72.7 -22.76 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.832 0.349 . . . . 0.0 111.404 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.442 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -72.29 -31.64 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.791 0.329 . . . . 0.0 110.555 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.497 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 22.4 mt -77.86 16.78 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -104.6 5.69 33.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.098 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.633 ' O ' HG22 ' B' ' 69' ' ' VAL . 73.7 m-85 -110.8 115.38 29.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 79.5 m-20 -59.41 -29.67 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.568 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 54.0 m -59.62 -41.56 90.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.218 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -82.06 -38.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.048 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.497 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 48.0 mtpt -65.98 -33.38 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.343 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.441 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 40.7 t80 -56.04 -47.25 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.863 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.526 ' CG ' HD11 ' B' ' 108' ' ' LEU . 53.5 m80 -73.68 -38.68 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.203 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.616 ' O ' HG22 ' B' ' 76' ' ' VAL . 88.2 mt -65.43 -36.56 84.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.14 -23.84 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.451 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 45.1 mtpt -71.94 -30.82 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.9 m -79.59 -29.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.109 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -60.74 -33.03 72.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.077 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 79.5 mtt180 -62.07 -38.4 88.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.052 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.26 -50.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.31 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.43 -20.48 66.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.609 0.242 . . . . 0.0 111.214 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.681 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.438 -1.041 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.706 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.82 -29.76 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.304 177.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.509 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.5 mptp? -53.54 -54.31 39.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.311 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.04 -50.9 71.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -38.2 84.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.587 0.232 . . . . 0.0 111.344 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.517 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.08 -47.24 80.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.35 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.57 -37.05 76.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.882 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 10.9 m-80 -61.02 -25.35 66.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.542 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.04 -44.15 40.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -60.88 -24.36 65.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 110.737 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . 0.45 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 13.2 m120 -60.68 -25.9 66.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -97.5 -1.8 43.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.117 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -105.04 -15.05 15.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.308 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -91.96 169.06 10.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.287 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -54.03 121.94 9.1 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.439 0.462 . . . . 0.0 111.101 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.05 15.56 28.03 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.526 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.78 -133.43 4.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.32 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.514 HG13 ' H ' ' B' ' 114' ' ' HIS . 5.5 pt -130.38 -54.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.964 0.412 . . . . 0.0 110.738 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.514 ' H ' HG13 ' B' ' 113' ' ' ILE . 28.7 m170 -117.62 46.03 1.82 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.499 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 5.3 p90 -74.98 149.08 39.43 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.561 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' B' ' 119' ' ' ILE . 12.9 m120 -110.51 133.02 53.67 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.295 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.9 OUTLIER -64.32 -25.2 67.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.442 -178.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.749 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -74.77 -36.51 62.56 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.796 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' B' ' 108' ' ' LEU . 38.4 mm -68.16 -37.53 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.702 0.287 . . . . 0.0 110.925 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tp10 -58.41 -51.49 69.59 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -67.4 -34.79 77.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 65.2 t80 -52.61 -50.85 62.24 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 67.5 m -58.6 -48.7 80.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.126 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 82.9 mm-40 -63.66 -53.78 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.283 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.41 -37.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 110.702 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 130' ' ' LEU . 0.8 OUTLIER -65.67 -62.45 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.732 0.777 . . . . 0.0 110.155 179.076 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.14 -27.35 68.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.102 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 9.9 t70 -54.23 -50.09 67.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.365 0.602 . . . . 0.0 109.938 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.47 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.0 mmtp -78.67 -27.41 45.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.326 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 126' ' ' LEU . 74.4 mt -63.18 -30.6 71.71 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 173.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.83 -15.82 23.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.03 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.211 0.529 . . . . 0.0 111.34 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.635 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.388 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.812 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.0 p30 -58.04 -36.58 72.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -58.83 -48.87 79.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 0.0 110.012 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.437 ' CB ' HD13 ' B' ' 130' ' ' LEU . 20.8 mt-30 -62.81 -42.87 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.297 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 8' ' ' GLU . 3.2 mp -54.81 -41.17 70.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.848 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 89.0 mt -64.8 -48.87 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.239 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -68.02 -27.8 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.32 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' B' ' 126' ' ' LEU . 57.0 t80 -61.61 -59.43 5.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -53.53 -41.02 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.858 0.837 . . . . 0.0 110.257 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 45.3 ttt180 -58.13 -43.89 87.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.183 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -72.36 -31.72 65.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.816 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD12 HD21 ' B' ' 45' ' ' LEU . 9.9 mp -57.82 -49.29 77.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.615 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.19 70.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.5 -31.31 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.71 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' HG ' ' A' ' 24' ' ' LEU . 7.0 m -111.08 7.1 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.359 -176.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.06 32.34 39.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.221 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 54' ' ' TYR . 95.6 mt -102.29 1.82 36.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.5 . . . . 0.0 110.607 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' B' ' 73' ' ' LEU . 54.5 tp -117.79 -4.89 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.856 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.59 145.55 53.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 111.441 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -148.67 177.45 9.49 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.483 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.46 104.16 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 33' ' ' GLU . 50.3 mt -81.12 137.19 35.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.434 -173.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 p -82.61 174.99 10.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.723 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -56.24 -38.47 71.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.725 0.298 . . . . 0.0 111.21 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.63 -42.69 64.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.9 mt-10 -63.64 -28.31 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.33 -31.68 38.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.344 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.49 -32.78 73.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.342 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.46 -24.69 7.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.436 . . . . 0.0 111.311 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 71' ' ' PHE . 61.8 mt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.935 0.398 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -114.38 163.86 14.74 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 19' ' ' LEU . 51.0 mt -80.47 173.78 12.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.014 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -80.3 -54.34 5.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.408 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -83.39 130.05 35.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.953 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -70.15 -33.19 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.3 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.62 -9.29 48.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -106.06 -43.48 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.573 0.701 . . . . 0.0 109.493 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 24.8 t70 -56.7 -42.85 79.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.069 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.09 -35.93 76.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.462 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.5 mt -70.4 -44.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.697 0.284 . . . . 0.0 110.624 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 24' ' ' LEU . 49.1 t80 -60.71 -25.59 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 32.3 mm-40 -87.28 -27.23 23.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.268 0.556 . . . . 0.0 110.465 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -103.03 31.54 4.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.523 ' HB2' ' CB ' ' B' ' 60' ' ' LEU . 22.8 p -136.26 78.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.172 0.51 . . . . 0.0 111.192 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.73 65.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 9.0 mm-40 -80.24 -30.17 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' ' 122' ' ' PHE . 30.6 tp -83.77 -45.45 13.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.03 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -58.35 -26.35 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 9.7 pt-20 -73.54 -19.74 60.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.902 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.99 -35.76 25.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.2 mm? -70.29 -4.2 20.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.345 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 59.1 mtpt -81.11 -19.55 43.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.037 0.446 . . . . 0.0 110.198 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -89.73 133.84 34.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.643 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -76.11 -22.33 55.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.575 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 37' ' ' LEU . 64.9 m -67.24 -37.96 84.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.88 0.848 . . . . 0.0 109.307 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' B' ' 118' ' ' ALA . 77.3 t -67.13 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.337 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -55.9 -33.05 64.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.096 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 37' ' ' LEU . 46.3 t80 -59.76 -55.16 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.413 ' CG ' HD11 ' B' ' 108' ' ' LEU . 24.0 m80 -68.7 -30.14 68.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 -176.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.642 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.9 mt -71.54 -36.54 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.467 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.26 -32.11 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.032 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -63.24 -32.18 73.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.642 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.7 m -82.1 -28.64 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.809 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 18.1 t80 -60.4 -31.43 70.36 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.185 177.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.871 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 60.1 mt -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.335 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -69.65 -14.68 62.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.489 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.921 0.391 . . . . 0.0 110.305 176.77 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.434 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.457 -0.099 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.03 -31.83 72.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.975 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.589 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.6 mptt -53.53 -47.48 69.92 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.476 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.02 -50.11 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.642 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -68.66 -43.63 75.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.495 176.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 98' ' ' LYS . 99.5 t -59.7 -38.21 74.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.31 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.431 ' O ' HD23 ' B' ' 108' ' ' LEU . 3.7 m-85 -74.63 -49.84 19.99 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.606 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' B' ' 108' ' ' LEU . 3.3 mm? -62.78 -25.27 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.58 -14.31 62.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.288 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.4 p -103.88 -3.44 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.118 0.485 . . . . 0.0 109.887 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.67 ' HB3' HG21 ' B' ' 119' ' ' ILE . 3.9 mm? -101.98 -17.08 16.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.957 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -72.06 160.86 31.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.481 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -53.66 113.79 1.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.332 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.11 22.6 7.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.466 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.74 -155.98 30.01 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.082 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.93 -44.5 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -119.47 34.96 5.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.3 p90 -73.82 151.2 40.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.942 -172.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.513 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -119.31 137.6 53.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.27 -177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.78 -27.73 66.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.582 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -81.95 -32.24 30.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.268 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' B' ' 108' ' ' LEU . 28.1 mm -70.62 -37.7 70.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 110.698 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 18.7 tp10 -60.68 -45.89 92.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.135 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.529 ' CD1' HD11 ' B' ' 60' ' ' LEU . 78.4 t80 -50.48 -56.7 10.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.25 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.2 -37.81 88.81 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.966 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 79.4 mm-40 -65.84 -53.6 37.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.04 -37.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.337 0.589 . . . . 0.0 110.548 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -67.11 -63.34 1.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.848 -178.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.464 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.4 pp -61.69 -27.23 68.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.836 -172.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.1 t70 -53.25 -46.95 69.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.286 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' B' ' 53' ' ' ILE . 55.0 mmtt -84.23 -22.54 30.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.831 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.485 ' CD1' HD22 ' B' ' 126' ' ' LEU . 92.0 mt -71.33 -30.58 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.311 0.577 . . . . 0.0 110.358 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -77.66 -24.8 49.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.217 0.532 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.19 -0.913 . . . . 0.0 112.323 -175.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 12' ' ' LEU . 9.4 pt-20 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.829 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 37.9 m-80 -58.33 -39.41 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.429 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -54.16 -42.61 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.399 0.437 . . . . 0.0 110.807 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 11' ' ' GLN . 7.1 mt-30 -74.83 -39.87 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.7 mp -56.44 -42.1 77.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.997 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.829 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 62.2 mt -57.66 -53.78 54.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.248 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.8 m-20 -65.41 -34.99 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -59.61 -57.96 10.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.434 ' CG2' HD11 ' A' ' 25' ' ' LEU . 76.2 mt -58.9 -36.56 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.514 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 31.6 ttt180 -61.03 -42.64 98.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.02 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 60.2 mt-10 -62.0 -36.97 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.23 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.8 mp -55.0 -51.46 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 -25.5 73.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.237 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.42 -36.73 74.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.201 0.5 . . . . 0.0 111.104 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.1 m -95.5 -18.73 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.157 0.503 . . . . 0.0 110.723 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.89 5.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.201 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 22' ' ' VAL . 99.2 mt -88.45 -11.89 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.184 0.516 . . . . 0.0 110.049 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' B' ' 74' ' ' ALA . 6.9 mt -99.04 -10.97 21.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.814 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.42 121.45 7.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.871 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 53.7 p90 -130.88 170.95 13.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.216 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -150.2 117.17 5.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.0 mt -99.2 133.43 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.124 0.488 . . . . 0.0 111.46 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -93.38 171.72 8.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.267 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -54.62 -40.72 69.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.867 0.365 . . . . 0.0 111.455 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.35 -38.58 74.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.149 0.499 . . . . 0.0 110.388 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 mm-40 -71.03 -25.03 62.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.79 -31.95 31.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.67 -33.73 75.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.137 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.12 -21.53 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.223 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 53.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.2 0.524 . . . . 0.0 110.956 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.409 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -108.68 170.22 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 44.8 mt -82.83 176.61 9.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.146 0.498 . . . . 0.0 111.625 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.06 -52.2 5.57 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.431 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -80.92 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.542 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -66.01 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -175.532 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.61 84.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -73.11 -47.56 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.111 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -55.97 -36.66 68.08 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.41 -49.25 72.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.157 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.93 -41.14 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.55 -33.36 71.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 74.9 mm-40 -85.69 -23.56 27.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -103.68 22.22 14.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.195 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -147.27 102.21 3.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.922 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -24.95 53.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.445 ' HG3' HG21 ' B' ' 125' ' ' ILE . 7.9 pt-20 -79.48 -20.16 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.374 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.48 -33.44 28.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -69.9 -41.77 74.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.07 -25.95 68.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.756 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 118' ' ' ALA . 52.4 mt -67.04 -28.77 68.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.69 -4.63 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.444 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -84.2 -12.82 54.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.0 110.077 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -89.37 126.95 35.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.832 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.25 -26.07 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 37' ' ' LEU . 61.2 m -76.63 -35.69 57.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.703 0.764 . . . . 0.0 110.304 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 59.3 t -77.4 -53.91 13.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.484 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.555 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 35.4 ttpt -59.84 -32.59 70.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.581 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 62.9 t80 -59.96 -54.52 45.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 175.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -66.89 -29.21 69.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.886 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 76' ' ' VAL . 90.1 mt -71.78 -45.05 62.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.79 0.329 . . . . 0.0 110.661 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.654 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -66.35 -18.91 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.647 0.261 . . . . 0.0 111.482 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.7 mmmt -63.19 -37.53 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.474 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.6 m -79.98 -27.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.1 t80 -56.73 -40.87 76.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.003 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -61.29 -28.11 68.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.648 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -75.66 -41.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.994 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.544 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -71.94 -13.98 61.79 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.761 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.775 176.658 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.53 -34.03 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.525 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.532 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.2 mptt -58.16 -44.73 88.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.506 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.24 -49.3 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.54 -34.94 76.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.83 -46.23 79.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.429 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 98' ' ' LYS . 85.6 t -59.97 -37.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.496 177.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -53.48 -39.94 64.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.201 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.535 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 2.7 m-85 -66.93 -48.75 67.64 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.78 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.585 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.1 mm? -61.84 -34.89 76.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.898 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -64.42 -31.38 72.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.674 0.273 . . . . 0.0 111.314 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -83.65 -8.99 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.636 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 81.6 mt -105.22 1.3 28.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.661 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 16.1 mmt180 -77.35 173.75 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -58.39 124.02 18.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.01 29.09 23.99 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.495 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.69 -153.09 28.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.081 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 pt -115.62 -48.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.567 0.222 . . . . 0.0 111.394 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.61 39.7 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.05 150.95 33.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.051 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.58 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.4 m120 -117.69 136.44 53.34 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.706 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 10.8 pt-20 -57.05 -28.34 62.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.061 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -82.45 -22.56 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.496 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.58 HG12 ' HB2' ' B' ' 116' ' ' ASN . 22.9 mm -71.78 -41.57 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 9.5 tp10 -63.63 -44.32 94.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 78.2 mm-40 -59.36 -43.41 92.83 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.359 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -53.42 -53.79 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.011 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.04 -47.82 83.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.926 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 84.0 mm-40 -64.44 -50.48 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.895 -175.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' B' ' 59' ' ' GLU . 86.5 mt -62.51 -42.44 95.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.201 0.524 . . . . 0.0 110.553 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.431 HD23 ' HG ' ' A' ' 12' ' ' LEU . 52.9 tp -69.18 -51.56 36.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.707 -177.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.92 -27.61 68.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 110.05 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.68 -44.86 96.01 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -82.33 -28.27 31.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.65 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.29 -38.54 87.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.387 . . . . 0.0 110.573 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -82.2 -14.41 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.699 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.705 -177.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.791 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 4.9 p30 -53.82 -41.47 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.393 0.433 . . . . 0.0 111.305 175.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -57.9 -39.6 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.786 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' NE2' ' HB3' ' B' ' 130' ' ' LEU . 6.8 mt-30 -80.91 -35.71 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.533 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 92.9 mt -57.97 -45.3 86.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.089 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -60.69 -52.06 66.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.474 -173.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.95 -23.29 63.16 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.178 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' B' ' 126' ' ' LEU . 49.2 t80 -67.02 -49.57 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.65 -34.52 62.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.746 0.784 . . . . 0.0 109.782 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.6 ttt180 -63.54 -47.76 80.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.55 -37.31 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.57 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 25' ' ' LEU . 4.7 tp -51.65 -56.59 12.78 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.091 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.61 -15.75 79.22 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -37.89 66.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.058 0.429 . . . . 0.0 110.978 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 24' ' ' LEU . 15.6 m -98.71 -16.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 37.07 3.99 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.81 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' B' ' 54' ' ' TYR . 94.8 mt -99.24 -4.48 31.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.551 0.691 . . . . 0.0 109.447 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' B' ' 73' ' ' LEU . 40.7 tp -115.49 -2.43 12.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.664 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.03 138.81 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.858 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.18 173.55 11.84 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.925 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.93 128.35 9.95 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.74 128.22 54.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -83.42 171.42 13.48 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.22 -39.65 72.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.222 0.465 . . . . 0.0 110.983 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.72 -41.55 78.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.45 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.85 -32.8 34.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.251 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.35 -31.68 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.298 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -82.0 -21.15 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.817 0.341 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' B' ' 71' ' ' PHE . 67.0 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.456 . . . . 0.0 111.12 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.463 HG22 ' NE2' ' B' ' 55' ' ' GLN . 0.9 OUTLIER -136.55 163.03 31.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.44 177.532 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 56.7 mt -79.86 171.93 14.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.252 0.548 . . . . 0.0 110.609 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.92 -29.05 13.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.351 -173.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -96.01 125.36 40.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.815 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.935 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -7.3 43.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.54 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.51 -40.95 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.112 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -60.18 -37.64 80.83 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.309 -176.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -37.61 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.26 -40.25 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.948 0.404 . . . . 0.0 110.326 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 24' ' ' LEU . 56.7 t80 -62.4 -27.28 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.9 mm-40 -93.33 -33.88 13.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.643 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.2 -32.55 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.907 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -102.25 89.47 3.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.613 0.72 . . . . 0.0 110.367 -175.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.6 59.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.57 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.551 ' HG3' HG21 ' B' ' 125' ' ' ILE . 10.9 pt-20 -77.91 -18.87 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.52 0.676 . . . . 0.0 109.562 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.61 -33.18 36.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.655 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -72.64 -38.3 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.029 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 12.8 pt-20 -59.17 -30.26 68.05 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -71.73 -38.09 70.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.118 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.33 13.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.616 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.4 -7.11 26.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.097 0.475 . . . . 0.0 109.738 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.411 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 92.0 m-85 -96.14 126.29 41.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.39 -21.74 63.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.473 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -67.49 -47.29 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 109.091 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.484 HG13 HD13 ' B' ' 119' ' ' ILE . 97.2 t -60.16 -59.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.739 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -56.75 -33.85 66.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.08 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 37' ' ' LEU . 34.3 t80 -62.64 -51.43 67.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 111.096 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -65.97 -36.31 82.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.623 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.4 mt -70.43 -37.66 74.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.36 -29.32 69.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -63.94 -32.17 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.623 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -80.95 -32.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.7 t80 -58.6 -40.3 82.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.651 178.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 78' ' ' ARG . 20.5 mtm180 -61.42 -31.63 71.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.332 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -70.18 -49.11 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.416 HD22 ' O ' ' B' ' 76' ' ' VAL . 1.5 mm? -57.25 -26.6 61.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.671 0.272 . . . . 0.0 111.552 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.445 -0.717 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.064 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.684 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -70.2 -24.42 63.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.609 ' O ' HG23 ' B' ' 102' ' ' VAL . 0.5 OUTLIER -57.81 -45.74 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.592 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -53.67 -59.33 4.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.112 0.482 . . . . 0.0 110.572 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.57 -32.99 73.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.069 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.479 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.02 -46.7 80.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.604 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.4 t -61.76 -34.22 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -57.97 -26.13 61.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.144 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -84.2 -39.99 18.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.576 0.226 . . . . 0.0 110.473 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.9 mm? -65.42 -31.75 73.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.388 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -32.64 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -86.08 -1.59 57.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.72 0.295 . . . . 0.0 110.825 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' B' ' 119' ' ' ILE . 81.1 mt -113.63 0.44 14.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.459 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 21.4 mmm-85 -91.39 162.95 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.53 123.18 7.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.765 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.46 57.23 1.67 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.684 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.06 -168.85 11.39 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.57 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.53 -44.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -130.38 38.92 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -75.93 137.5 40.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.442 0.639 . . . . 0.0 111.066 -173.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.462 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.7 m120 -114.95 142.69 46.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.19 -0.913 . . . . 0.0 108.9 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.5 -27.8 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.777 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -71.53 -27.49 63.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.777 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' B' ' 108' ' ' LEU . 27.0 mm -75.79 -39.83 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 109.842 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.74 -43.72 79.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.968 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.43 -44.6 80.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.907 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 79.1 t80 -52.79 -56.76 13.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.235 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.8 m -55.95 -49.72 72.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -65.41 -56.31 13.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.733 -174.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 59' ' ' GLU . 84.6 mt -59.1 -41.17 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 110.814 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 15' ' ' PHE . 38.1 tp -70.56 -51.56 27.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.327 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.0 pp -65.64 -27.39 68.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.98 -48.46 78.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.099 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -80.09 -32.22 39.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.455 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.528 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 67.8 mt -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.24 -6.83 52.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 111.12 -179.359 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.628 ' O ' HD13 ' A' ' 12' ' ' LEU . 8.6 pt-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 22.2 m-80 -60.51 -39.41 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.252 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.88 -43.69 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' HB3' HE21 ' A' ' 11' ' ' GLN . 7.5 mt-30 -70.84 -39.98 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.207 0.527 . . . . 0.0 109.97 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.8 mp -58.68 -42.85 89.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.101 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -59.01 -52.17 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.815 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.17 -28.75 66.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.233 0.539 . . . . 0.0 110.256 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 51.8 t80 -62.86 -52.78 61.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.034 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.5 -33.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.049 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 30.0 ttt180 -60.58 -49.98 75.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.752 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.1 mt-10 -70.17 -36.47 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.439 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.3 tp -51.86 -52.92 46.1 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.145 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -76.0 -19.91 78.21 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.914 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.18 -34.6 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' GLU . 30.9 m -92.68 -19.07 6.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.22 27.64 6.82 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.662 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD13 ' CE2' ' B' ' 54' ' ' TYR . 82.1 mt -98.65 -13.7 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.529 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -97.78 -22.75 16.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.11 150.94 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.822 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -148.99 177.12 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.069 0.461 . . . . 0.0 111.501 -168.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.86 132.01 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' B' ' 71' ' ' PHE . 93.3 mt -116.82 132.54 56.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.983 0.42 . . . . 0.0 111.604 -176.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -81.25 169.43 17.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 174.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -53.51 -44.33 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -63.77 -44.01 94.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.628 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 mt-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -76.84 -28.86 55.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.127 0.489 . . . . 0.0 110.414 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.07 -32.17 66.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.66 -25.13 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.794 0.331 . . . . 0.0 111.576 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.65 0.262 . . . . 0.0 111.562 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.417 ' HB2' HD11 ' A' ' 24' ' ' LEU . 32.4 mmtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.518 0.675 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.07 163.57 33.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.973 174.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -77.64 170.03 17.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.021 0.439 . . . . 0.0 110.48 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -98.43 -31.34 12.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.264 -172.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -95.69 124.54 39.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.009 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.2 -32.69 73.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.28 62.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.98 -40.37 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.74 -35.56 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.193 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.92 -46.94 74.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.6 mp -67.26 -40.26 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.239 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.535 ' CE2' HD13 ' A' ' 24' ' ' LEU . 59.3 t80 -58.81 -38.51 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.409 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.06 -31.26 39.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.322 0.582 . . . . 0.0 110.979 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.31 29.78 3.44 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.549 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -147.31 82.94 1.55 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.214 0.53 . . . . 0.0 110.82 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.76 -27.52 65.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.464 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.3 pt-20 -70.06 -23.63 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.316 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.55 -45.51 12.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.573 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.676 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -59.04 -28.43 66.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.901 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.25 -23.34 60.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.404 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.436 HD11 HD12 ' B' ' 125' ' ' ILE . 78.6 mt -77.32 -27.27 52.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 109.65 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.73 5.61 17.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.768 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -91.32 -12.55 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.115 0.483 . . . . 0.0 109.733 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -87.29 124.81 33.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.606 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -73.36 -21.89 60.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.876 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 40.5 m -69.17 -46.3 67.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.646 0.736 . . . . 0.0 109.052 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.514 HG13 HD13 ' B' ' 119' ' ' ILE . 97.5 t -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.101 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -54.98 -34.61 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.794 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 29' ' ' LEU . 56.3 t80 -60.76 -50.44 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -69.38 -37.29 77.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.867 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.658 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.7 mt -67.46 -34.5 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.731 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.91 -30.54 71.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.857 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.417 ' O ' HG13 ' B' ' 79' ' ' ILE . 50.0 mtpt -66.43 -27.47 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.713 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.6 m -83.2 -33.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.6 t80 -59.99 -41.23 91.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.108 0.48 . . . . 0.0 109.935 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 96.9 mtt180 -57.89 -36.9 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.288 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 79.1 mt -64.06 -54.82 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.104 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.52 -30.21 62.78 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.776 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.111 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.424 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.645 0.259 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.01 -34.27 74.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.986 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.484 ' O ' HG23 ' B' ' 102' ' ' VAL . 14.2 mptt -62.22 -36.38 81.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.747 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.89 -57.59 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 109.784 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.38 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.937 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.538 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.13 -52.31 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 98' ' ' LYS . 75.2 t -61.28 -32.27 52.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.978 0.418 . . . . 0.0 110.783 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.1 -30.63 66.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.0 -42.18 27.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.804 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -61.6 -34.71 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.816 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . 0.43 ' ND2' HG12 ' B' ' 102' ' ' VAL . 19.4 m-80 -61.37 -32.57 72.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.407 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -81.87 -6.25 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.632 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 89.6 mt -110.0 -2.82 16.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.801 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 58.7 mtp180 -109.79 -174.13 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.509 ' CE2' ' HG2' ' B' ' 120' ' ' GLU . 21.2 m-85 -51.76 116.72 2.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.76 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.28 32.57 7.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.655 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.78 -160.02 24.72 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.03 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 pt -115.45 -38.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 -176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -124.93 40.73 3.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.632 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -81.88 141.05 33.74 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.063 -170.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.501 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.3 m120 -116.84 147.77 41.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.12 -28.88 70.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.768 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.34 56.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' B' ' 108' ' ' LEU . 23.6 mm -69.58 -43.05 80.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.509 ' HG2' ' CE2' ' B' ' 110' ' ' TYR . 17.2 tp10 -63.64 -46.58 85.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.775 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -62.29 -37.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.538 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -52.15 64.77 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 60.7 m -59.05 -49.35 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.456 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 85.2 mm-40 -62.36 -52.89 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.551 -175.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' B' ' 59' ' ' GLU . 92.7 mt -65.11 -41.59 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.921 0.391 . . . . 0.0 111.328 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.4 tp -66.77 -51.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' B' ' 130' ' ' LEU . 2.0 pp -66.84 -26.62 67.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 25.4 t70 -54.54 -50.18 68.51 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.326 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.529 ' HB2' HG12 ' B' ' 53' ' ' ILE . 47.3 mmtt -79.29 -34.67 42.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.096 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' B' ' 127' ' ' LEU . 72.2 mt -64.51 -25.8 68.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -100.19 -11.38 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.765 0.317 . . . . 0.0 110.99 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.33 0.586 . . . . 0.0 111.09 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.4 m-80 -60.94 -29.72 69.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.984 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -65.72 -28.27 68.93 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.777 0.322 . . . . 0.0 110.14 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.53 -35.44 58.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.812 HD13 HD12 ' B' ' 126' ' ' LEU . 4.5 mm? -56.65 -48.66 77.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 27.9 mt -59.03 -54.81 42.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.385 -174.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 20.0 m-20 -66.42 -30.4 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.096 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.462 ' O ' HD13 ' A' ' 19' ' ' LEU . 77.9 t80 -63.65 -57.58 9.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 110.011 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.23 -35.69 59.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.506 0.669 . . . . 0.0 110.223 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.5 ttt180 -58.96 -43.71 91.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.924 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.5 mt-10 -71.84 -34.5 69.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.181 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 8.6 mp -54.38 -53.71 50.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -67.09 -33.61 83.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.928 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.37 -35.95 82.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.763 0.316 . . . . 0.0 111.504 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 18' ' ' GLU . 31.3 m -96.46 -5.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 0.0 110.551 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 26' ' ' GLU . . . 88.63 31.17 13.54 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.536 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' B' ' 54' ' ' TYR . 81.4 mt -100.48 0.33 39.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.29 0.566 . . . . 0.0 110.356 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 38.3 tp -113.89 -10.29 12.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.238 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 47.5 mt-10 -61.31 131.15 49.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.148 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.52 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -152.14 103.04 2.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -85.17 145.02 27.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.217 0.532 . . . . 0.0 111.782 -172.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -84.58 169.27 14.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.163 171.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.25 -39.62 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.059 0.39 . . . . 0.0 111.114 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.83 -40.82 92.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -67.39 -27.25 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.404 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -81.1 -32.54 33.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.141 0.496 . . . . 0.0 110.249 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.16 -35.32 80.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.14 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.95 -22.84 12.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 55.2 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.928 0.394 . . . . 0.0 111.184 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' B' ' 43' ' ' LYS . 2.8 mppt? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -108.82 174.59 5.8 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.649 174.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 37.7 mt -84.61 175.43 9.25 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.524 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -85.23 -48.6 8.95 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.347 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 24.6 m -85.48 125.77 33.31 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.65 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.85 -32.12 72.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -22.58 66.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.686 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.1 -46.44 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.106 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 34.8 t70 -53.48 -39.09 64.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.348 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.25 -53.34 17.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.424 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.526 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.3 mp -67.99 -40.96 84.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' A' ' 24' ' ' LEU . 85.9 t80 -60.73 -36.44 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.892 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.9 mm-40 -83.26 -20.47 34.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 0.0 110.336 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -113.7 31.88 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.2 m -139.74 85.64 2.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.174 0.511 . . . . 0.0 110.906 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.73 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.646 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.402 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.5 pm0 -80.89 -23.05 39.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 tp -84.48 -47.85 10.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.28 -28.89 60.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.164 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.37 -20.43 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.86 -37.47 55.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.213 0.53 . . . . 0.0 109.633 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.77 -13.97 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.147 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.17 -15.1 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.654 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.455 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.2 m-85 -92.93 131.46 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -74.81 -16.43 60.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -68.18 -33.22 74.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.94 0.876 . . . . 0.0 109.305 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' B' ' 66' ' ' TYR . 97.4 t -74.31 -55.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.163 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -47.78 -46.92 30.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.878 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.473 ' CD2' HD13 ' A' ' 37' ' ' LEU . 60.8 t80 -55.44 -51.66 66.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.551 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -70.65 -32.89 70.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.398 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.7 mt -73.54 -35.83 65.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.008 0.432 . . . . 0.0 110.59 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.88 -33.5 75.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.857 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.5 mtpt -62.68 -32.12 73.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.1 m -81.34 -32.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.4 t80 -62.05 -40.43 95.74 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 41.3 mtm180 -59.72 -25.7 65.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.227 0.537 . . . . 0.0 110.805 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.5 -53.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.049 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.4 -26.24 66.53 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.368 178.112 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.451 HD12 HD23 ' B' ' 100' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.611 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -61.7 -39.28 90.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.512 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.8 mptp? -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.761 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.88 -57.62 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.95 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 96' ' ' LEU . 4.1 mm? -59.34 -40.57 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.147 -176.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.02 -46.2 88.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 94.6 t -62.19 -35.06 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.687 0.28 . . . . 0.0 110.827 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -56.15 -30.43 62.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.538 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.446 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.2 m-85 -74.6 -47.02 34.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.64 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.28 -29.39 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.34 -32.44 73.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 73.2 p -83.35 -9.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.748 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.475 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 80.5 mt -102.62 0.47 33.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -85.77 165.9 16.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.895 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -54.66 112.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.558 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.16 25.19 7.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.89 -152.99 25.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.964 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.2 pt -107.99 -49.3 7.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.759 0.314 . . . . 0.0 111.462 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -121.57 46.22 2.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.475 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -82.18 142.75 31.92 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.913 -171.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.1 m120 -118.06 135.05 54.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.582 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 0.3 OUTLIER -57.65 -30.74 65.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.344 178.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' B' ' 122' ' ' PHE . . . -70.25 -27.19 64.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 116' ' ' ASN . 32.2 mm -79.86 -41.84 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 109.935 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.3 tp10 -59.87 -51.0 71.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 44.1 mm-40 -65.21 -35.87 82.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.407 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' B' ' 118' ' ' ALA . 57.8 t80 -54.46 -52.62 61.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.09 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . 0.735 ' HA ' HD11 ' A' ' 12' ' ' LEU . 65.2 m -56.81 -45.6 82.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.765 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 65.6 mm-40 -67.87 -53.75 24.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.59 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' B' ' 59' ' ' GLU . 77.1 mt -58.19 -39.58 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.299 0.571 . . . . 0.0 110.841 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tm? -75.79 -59.98 2.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.704 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 12' ' ' LEU . 1.7 pp -59.11 -30.59 68.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 -175.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.5 t70 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.36 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.484 ' HB2' HG12 ' B' ' 53' ' ' ILE . 59.8 mmtt -81.83 -29.82 32.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 126' ' ' LEU . 30.2 mt -71.15 -23.9 62.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.259 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -94.19 -10.11 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.675 174.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.098 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.675 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.897 0.379 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.726 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.4 p30 -65.41 -37.34 86.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.024 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -62.6 -37.13 85.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.215 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' HB3' HD13 ' B' ' 130' ' ' LEU . 20.9 mt-30 -64.99 -44.09 90.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 174.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 60.2 mt -55.86 -43.55 77.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.849 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 83.3 mt -62.26 -50.68 70.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.261 -173.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 18.9 m-20 -68.2 -24.58 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 110.831 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.0 t80 -67.06 -56.17 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.696 175.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' LEU . 65.5 mt -54.38 -40.17 47.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.704 0.764 . . . . 0.0 110.212 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 63.2 ttt180 -58.46 -47.95 82.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.707 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 71.6 mt-10 -68.14 -33.75 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.326 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD23 HD21 ' B' ' 45' ' ' LEU . 89.9 mt -58.99 -51.46 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.258 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 -27.4 73.42 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.203 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 17.2 m -102.27 -11.37 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 23.5 18.43 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.537 -0.84 . . . . 0.0 113.39 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.42 -25.31 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.754 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 3.1 tm? -85.95 -24.12 26.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.784 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.66 139.28 16.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.44 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -142.92 176.25 9.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -153.19 121.01 6.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 75.5 mt -106.71 159.78 15.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.553 -178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.668 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -113.71 174.64 5.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -54.8 -33.98 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.32 -54.23 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.098 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.668 ' HG2' ' H ' ' A' ' 30' ' ' SER . 1.9 pm0 -70.62 -18.91 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.41 -28.59 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.441 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.85 -33.93 74.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.172 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.3 -21.81 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.948 0.404 . . . . 0.0 111.497 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 71' ' ' PHE . 59.1 mt . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.924 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 22' ' ' VAL . 43.6 mmtt . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.61 0.719 . . . . 0.0 111.62 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.47 161.34 36.61 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.398 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.718 HD21 HD23 ' A' ' 19' ' ' LEU . 21.8 mt -73.45 173.84 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.515 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.416 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.1 mmmm -90.69 -49.22 6.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 -175.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.6 m -91.24 129.82 37.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.236 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -68.2 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.763 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 -8.75 35.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.426 . . . . 0.0 111.033 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.21 -42.34 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.3 t70 -57.76 -36.24 71.84 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.023 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -53.42 -46.41 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.413 ' H ' HD12 ' B' ' 53' ' ' ILE . 4.5 mp -70.21 -42.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.01 -31.51 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.009 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 66.7 mm-40 -89.14 -18.52 27.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.983 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -112.16 31.58 6.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -176.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.2 m -146.6 85.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.278 0.561 . . . . 0.0 111.198 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.58 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -73.29 -19.48 61.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.193 0.521 . . . . 0.0 110.37 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -84.2 -44.39 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.71 -29.52 62.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.086 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.01 -21.47 56.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.749 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 mt -75.98 -29.15 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.165 0.507 . . . . 0.0 109.955 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 2.39 23.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.963 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -85.05 -18.04 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.426 . . . . 0.0 110.095 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.42 ' HB2' HG23 ' B' ' 69' ' ' VAL . 84.6 m-85 -92.15 129.95 37.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.44 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.416 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 92.4 m-20 -73.05 -23.24 60.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.599 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -71.77 -30.8 65.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.847 0.832 . . . . 0.0 109.661 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.47 HG13 HD13 ' B' ' 119' ' ' ILE . 60.7 t -74.54 -59.43 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.267 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -54.32 -36.08 63.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.668 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CD2' HD13 ' A' ' 37' ' ' LEU . 48.5 t80 -55.59 -52.09 64.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.112 0.482 . . . . 0.0 111.05 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.402 ' HB3' ' CD1' ' B' ' 108' ' ' LEU . 33.5 m80 -72.76 -29.38 63.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.244 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.63 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.4 mt -72.93 -36.82 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -67.84 -31.27 70.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.936 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 14.5 mmmm -56.05 -34.73 66.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 176.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.63 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.5 m -84.01 -33.33 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.231 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.3 t80 -60.27 -40.75 91.5 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 81.9 mtt180 -60.6 -29.97 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.257 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -73.04 -48.65 43.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.624 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.596 HD22 ' O ' ' B' ' 76' ' ' VAL . 0.7 OUTLIER -62.48 -15.15 48.39 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.049 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.118 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -62.92 -32.5 73.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.69 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.585 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.7 mptm? -55.86 -44.15 77.8 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.9 -53.93 52.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.159 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 103' ' ' ASN . 4.3 mm? -60.44 -37.98 82.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.873 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.11 -46.21 85.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.729 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.26 -32.81 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.547 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 100' ' ' LEU . 16.8 m-80 -55.75 -29.41 59.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.2 m-85 -81.2 -44.44 17.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.452 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.17 -33.07 71.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.756 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.42 -30.14 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.4 ' HB ' HG12 ' B' ' 113' ' ' ILE . 62.8 p -94.93 -3.63 48.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.546 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 89.1 mt -104.81 -17.87 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.367 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -83.02 172.45 12.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.858 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.19 134.96 56.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.13 35.27 24.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.32 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.42 -159.54 18.59 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.4 HG12 ' HB ' ' B' ' 107' ' ' THR . 19.3 pt -100.4 -47.0 11.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 111.641 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -127.05 47.09 2.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.6 p90 -78.93 151.34 31.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.57 -169.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.9 m120 -119.87 130.89 55.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 8.5 pt-20 -62.94 -23.28 67.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.753 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.455 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.34 -30.59 64.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.784 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' B' ' 116' ' ' ASN . 25.3 mm -71.15 -41.12 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 10.6 tp10 -58.13 -50.86 72.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.868 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 20.3 mm-40 -59.98 -43.23 95.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.438 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.35 -54.51 35.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.399 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.28 -50.09 74.01 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 76.7 mm-40 -64.34 -54.27 35.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.757 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -59.03 -42.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.699 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 15' ' ' PHE . 45.3 tp -71.47 -53.96 12.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.771 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' A' ' 12' ' ' LEU . 2.6 pp -65.0 -27.87 69.12 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.376 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.56 -44.77 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.381 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -80.94 -31.45 34.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.008 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 11' ' ' GLN . 74.2 mt -67.34 -26.55 66.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.447 177.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -90.41 -16.42 29.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.295 0.569 . . . . 0.0 111.124 -179.205 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.0 pt-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.486 0.184 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.807 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 20.9 m-80 -61.04 -35.95 78.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -60.0 -51.27 70.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.698 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HB3' HD13 ' B' ' 130' ' ' LEU . 32.8 mt-30 -58.8 -43.97 90.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 176.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.3 mp -55.06 -44.33 74.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.249 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 79.9 mt -59.48 -53.73 54.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.576 -177.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -66.14 -28.89 69.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.6 t80 -64.9 -54.58 28.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.863 175.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.2 mt -59.35 -36.33 63.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.246 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.5 ttt180 -62.88 -46.31 88.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.668 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 51.0 mt-10 -64.77 -35.15 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.285 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 86.1 mt -53.25 -51.07 63.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.982 0.42 . . . . 0.0 110.604 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.72 -25.74 74.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.197 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.25 -30.25 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.892 0.346 . . . . 0.0 111.698 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.789 HG23 HD13 ' A' ' 24' ' ' LEU . 3.2 m -102.08 -22.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.807 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.6 38.2 1.34 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.814 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.789 HD13 HG23 ' A' ' 22' ' ' VAL . 5.1 mp -106.05 -30.99 8.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.052 -0.574 . . . . 0.0 109.976 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' B' ' 74' ' ' ALA . 20.5 tp -94.3 -1.4 53.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.6 136.31 57.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.157 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.517 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 43.9 p90 -142.88 176.54 8.99 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.406 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -161.41 108.63 1.44 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -82.83 134.83 35.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.793 -171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -91.69 173.07 8.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.58 -40.46 68.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.668 0.271 . . . . 0.0 111.473 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.629 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.337 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.4 mm-40 -66.26 -28.72 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.466 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -80.29 -28.01 38.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.23 -32.01 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.28 -24.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 0.0 111.447 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.9 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.406 -176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.435 ' HB2' HD11 ' A' ' 24' ' ' LEU . 1.8 mptt . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.419 HG22 ' NE2' ' B' ' 55' ' ' GLN . 2.4 p -108.0 162.2 14.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.83 0.348 . . . . 0.0 111.432 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 19' ' ' LEU . 44.7 mt -79.35 173.38 12.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.743 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -96.24 -32.66 12.32 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.129 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -91.66 125.47 36.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.712 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -61.14 -40.32 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.423 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.58 74.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.02 0.438 . . . . 0.0 110.762 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.414 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.1 m-85 -80.34 -44.68 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.656 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 38.5 t70 -58.71 -38.67 78.82 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.404 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.97 -53.11 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.824 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.3 mt -65.67 -42.03 91.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.409 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 75.3 t80 -58.56 -33.56 70.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.396 . . . . 0.0 110.95 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 60.6 mm-40 -88.93 -32.61 17.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.404 HD22 ' N ' ' B' ' 56' ' ' ASN . 1.0 OUTLIER -83.22 -18.16 40.22 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.5 m -114.19 93.83 4.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.521 0.677 . . . . 0.0 110.431 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.9 58.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.039 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.432 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.3 pm0 -77.29 -20.08 55.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 109.741 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.32 -35.75 40.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -66.41 -40.87 89.85 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.63 -23.45 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.924 0.393 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.411 ' O ' HG21 ' B' ' 69' ' ' VAL . 78.9 mt -71.11 -30.97 67.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.695 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.6 9.35 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -89.22 -18.45 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.007 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.545 ' O ' HG22 ' B' ' 69' ' ' VAL . 67.6 m-85 -89.57 118.85 29.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 109.907 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.93 -35.5 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.745 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.7 m -60.41 -41.64 94.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.758 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.9 m -82.42 -38.89 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.146 -174.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.517 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 ttpt -70.07 -30.14 67.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.091 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.401 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 38.1 t80 -58.38 -48.09 81.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -70.11 -34.66 73.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.178 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.0 mt -69.14 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.72 -28.83 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.763 0.316 . . . . 0.0 110.952 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.3 mtpt -64.73 -33.75 76.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.4 m -79.27 -32.52 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.9 t80 -60.45 -36.19 77.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.063 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -58.86 -41.86 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.391 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.83 -49.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.128 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.2 mm? -65.73 -12.5 54.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.01 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.672 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.35 -28.52 69.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.569 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.3 mptm? -57.89 -31.97 67.26 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -58.83 3.1 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.404 HD22 ' N ' ' B' ' 100' ' ' LEU . 3.4 mm? -58.82 -36.27 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.131 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -61.48 -45.62 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 98' ' ' LYS . 93.6 t -61.68 -33.1 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -62.32 -23.75 66.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.431 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.482 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.0 m-85 -82.23 -40.62 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 110.386 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -62.84 -31.07 72.01 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.263 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.24 -40.1 92.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.68 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.4 p -78.29 -9.87 59.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 82.5 mt -102.86 -14.99 16.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.459 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 30.5 mtp180 -88.55 172.82 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.258 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -55.33 133.14 49.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.179 0.514 . . . . 0.0 111.604 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.38 10.74 67.7 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.438 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.52 -174.28 45.94 Favored Glycine 0 N--CA 1.435 -1.406 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.498 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 114' ' ' HIS . 26.3 pt -88.18 -46.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -174.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.403 ' N ' HG13 ' B' ' 113' ' ' ILE . 27.0 m170 -126.43 46.83 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.1 p90 -77.14 150.21 35.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.273 -171.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -123.85 132.5 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.693 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.68 -29.47 70.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 -171.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.768 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -71.87 -34.04 68.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.273 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 108' ' ' LEU . 46.1 mm -68.6 -39.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.049 0.452 . . . . 0.0 109.792 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.39 -52.77 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.4 -38.93 93.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.648 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -53.71 -53.05 57.55 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.762 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 44.4 t -56.7 -47.61 79.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.726 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 86.5 mm-40 -65.65 -52.9 48.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.895 -174.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.9 mt -62.92 -42.49 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.08 0.467 . . . . 0.0 110.887 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 130' ' ' LEU . 43.0 tp -69.49 -54.39 14.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.677 -175.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.77 -27.73 69.5 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.964 0.412 . . . . 0.0 109.957 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.9 t70 -56.54 -42.43 78.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.473 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.44 ' CB ' HG12 ' B' ' 53' ' ' ILE . 62.0 mmtt -90.66 -31.21 16.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.571 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' B' ' 126' ' ' LEU . 57.6 mt -64.52 -29.92 70.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.251 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -90.76 -12.83 35.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.801 0.334 . . . . 0.0 110.732 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.577 -177.461 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.266 0.079 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.739 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.2 p30 -58.06 -36.51 72.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.173 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.6 m -60.66 -33.78 73.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.253 0.549 . . . . 0.0 110.514 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.557 ' HB3' HD13 ' B' ' 130' ' ' LEU . 0.1 OUTLIER -78.92 -40.3 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.045 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.0 mp -52.7 -51.54 59.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.302 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 46.4 mt -55.89 -53.48 56.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.373 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.93 -27.15 62.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.681 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.81 -58.65 5.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.885 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.72 -37.14 38.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.211 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.6 ttt180 -58.91 -42.42 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.261 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -68.47 -36.94 79.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.461 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.03 -51.36 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.49 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.22 73.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.01 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.26 -40.72 81.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.764 0.282 . . . . 0.0 111.285 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' HD3' ' B' ' 46' ' ' LYS . 8.8 m -95.95 -16.52 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.002 0.429 . . . . 0.0 111.187 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.55 37.22 4.06 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.968 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' CE2' ' B' ' 54' ' ' TYR . 86.9 mt -97.83 -13.03 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.492 . . . . 0.0 110.207 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.1 tp -102.41 -9.46 20.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.18 136.19 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.908 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -140.93 176.52 8.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.95 127.08 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.222 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.19 146.43 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.087 0.47 . . . . 0.0 111.649 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -87.59 169.69 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.548 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -52.76 -45.38 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.659 0.266 . . . . 0.0 111.332 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.48 -44.14 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.473 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 mt-10 -64.12 -33.74 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.579 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.1 -31.48 61.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 110.236 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.56 -29.76 63.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.358 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.11 -26.82 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.7 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -107.28 168.71 9.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.79 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 38.6 mt -76.87 -177.64 4.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.061 0.457 . . . . 0.0 111.755 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.5 mmmm -86.33 -45.38 11.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 51.0 m -97.21 131.76 43.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.993 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -68.9 -32.85 72.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.845 0.355 . . . . 0.0 110.45 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.01 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.24 -44.45 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.71 -35.18 65.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.8 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.12 -51.01 57.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.804 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.542 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -66.8 -40.88 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.441 ' CE2' HD13 ' A' ' 24' ' ' LEU . 79.9 t80 -61.81 -29.46 70.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.3 mm-40 -91.97 -29.8 16.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -96.17 -9.89 29.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.3 m -118.73 85.87 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.225 0.535 . . . . 0.0 110.379 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.772 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' B' ' 59' ' ' GLU . 6.1 pt-20 -69.26 -25.04 64.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.892 176.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -84.31 -35.79 23.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.234 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.16 -35.61 69.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.792 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.61 -27.35 68.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.413 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.42 HD11 HD12 ' B' ' 125' ' ' ILE . 57.8 mt -72.13 -31.01 65.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.994 178.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.85 -11.62 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.137 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.96 -33.85 75.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.074 0.464 . . . . 0.0 110.095 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -70.41 129.67 39.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.991 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -76.1 -19.34 58.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.213 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 94.3 m -70.11 -34.51 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.769 0.795 . . . . 0.0 109.317 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' B' ' 73' ' ' LEU . 76.3 t -69.61 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.679 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -51.16 -39.57 56.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.379 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 57.8 t80 -56.67 -52.52 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 111.32 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -66.54 -37.76 85.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 76' ' ' VAL . 73.7 mt -69.68 -37.79 76.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.819 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.79 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.783 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 53.6 mtpt -65.27 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -76.76 -30.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.274 -0.571 . . . . 0.0 109.657 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 25.2 t80 -60.86 -38.03 84.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.365 175.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 53.4 mtm180 -62.86 -23.97 67.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.265 0.555 . . . . 0.0 110.58 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -78.48 -44.01 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.888 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.92 -19.32 62.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.048 0.452 . . . . 0.0 110.297 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.522 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.78 -23.67 67.34 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.5 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.7 mptt -53.0 -45.91 68.11 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.43 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.64 -50.62 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.14 -34.85 79.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.96 -49.06 71.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 98' ' ' LYS . 60.4 t -62.24 -35.36 68.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.662 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -54.68 -33.52 60.96 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.471 ' O ' HD23 ' B' ' 108' ' ' LEU . 5.7 m-85 -72.99 -50.88 20.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.62 -24.29 67.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.895 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' B' ' 102' ' ' VAL . 84.1 m-20 -71.79 -17.71 62.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.406 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.8 p -96.64 -11.58 25.04 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.656 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.6 mm? -95.07 -5.65 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.51 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -73.87 150.78 40.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.507 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.11 125.13 19.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.11 33.87 11.49 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.487 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.84 -151.66 16.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.833 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 pt -107.91 -46.46 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -126.61 46.32 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.934 0.397 . . . . 0.0 110.258 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.49 ' HA ' HD13 ' B' ' 108' ' ' LEU . 5.7 p90 -83.98 142.87 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.493 -176.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.439 ' HB2' HG12 ' B' ' 119' ' ' ILE . 10.7 m120 -105.49 149.22 26.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.866 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.65 -34.47 77.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.724 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.36 -25.79 51.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.656 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.9 mm -77.82 -36.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.05 -50.29 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -66.18 -42.41 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -51.1 -58.37 6.29 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.759 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.4 m -54.86 -46.4 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.794 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 81.6 mm-40 -65.27 -52.52 53.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.675 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.429 HG21 ' HG3' ' B' ' 59' ' ' GLU . 94.2 mt -62.68 -42.13 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 111.128 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.461 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -67.95 -60.4 2.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.19 -175.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.06 -29.22 67.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.151 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 24.0 t70 -57.78 -50.03 74.62 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.542 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.6 mmtp -79.47 -25.95 41.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.773 -175.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 11' ' ' GLN . 85.5 mt -70.36 -39.85 74.41 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.536 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -79.97 -3.13 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 0.0 110.11 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.552 178.727 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 pm0 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.745 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 45.7 m-80 -60.8 -46.56 90.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.07 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -51.97 -41.49 62.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.902 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.2 mm100 -74.76 -38.75 62.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 97.7 mt -59.38 -46.86 87.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.905 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 60.5 mt -55.56 -57.08 13.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.725 -175.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.4 m-20 -67.37 -29.32 68.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' B' ' 126' ' ' LEU . 41.6 t80 -65.02 -58.41 6.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -55.84 -37.11 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.548 0.69 . . . . 0.0 110.205 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 61.6 ttt180 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.006 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 62.3 mt-10 -66.95 -35.24 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.207 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 10.9 mp -57.69 -50.05 74.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.09 78.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.665 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.51 -29.63 68.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.627 0.251 . . . . 0.0 111.666 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' GLU . 27.9 m -104.35 -1.28 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 111.033 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 35.96 15.28 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.503 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' HG2' ' B' ' 43' ' ' LYS . 81.8 mt -107.08 -5.02 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 111.126 175.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 tp -105.8 -13.9 15.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.82 138.55 54.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.529 0.68 . . . . 0.0 111.049 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -134.84 177.62 7.65 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.39 -170.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -142.22 114.56 8.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 95.6 mt -98.48 134.34 41.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.046 0.451 . . . . 0.0 111.867 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -86.97 172.88 9.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.416 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -56.01 -43.87 78.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 0.0 111.198 -177.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.68 -43.63 92.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.426 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 40.2 mt-10 -66.63 -28.37 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.454 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.93 -33.85 59.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.26 -33.23 72.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.33 -23.42 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.531 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.5 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.401 . . . . 0.0 111.339 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.569 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.311 0.577 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -120.22 177.82 4.87 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.312 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 19' ' ' LEU . 33.9 mt -74.23 -178.05 3.25 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 111.144 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -95.06 -41.79 8.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.724 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -92.05 124.43 36.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.413 173.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 46.9 tptt -66.31 -33.87 76.71 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.915 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.611 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.35 -44.46 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -54.02 -36.28 62.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.069 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.95 -52.83 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.288 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.8 mp -64.81 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.755 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -60.6 -32.76 71.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.7 mm-40 -87.98 -17.36 31.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.738 0.304 . . . . 0.0 110.898 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -112.53 32.93 5.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -146.94 81.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.189 0.518 . . . . 0.0 110.831 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.588 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 8.2 pt-20 -72.34 -19.49 61.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.441 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -84.28 -46.64 11.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.994 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.18 -27.73 67.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.174 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.588 ' OE2' ' HA ' ' B' ' 59' ' ' GLU . 12.3 pt-20 -74.82 -26.91 60.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.88 -29.23 58.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.374 0.606 . . . . 0.0 109.411 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 75.2 mt -79.85 15.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -99.47 -17.87 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.227 0.536 . . . . 0.0 109.814 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.444 ' HB2' HG23 ' B' ' 69' ' ' VAL . 63.9 m-85 -89.48 123.58 33.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.843 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 93.8 m-20 -69.08 -19.33 64.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.3 m -68.04 -46.31 71.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.855 0.836 . . . . 0.0 108.948 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 HD13 ' B' ' 119' ' ' ILE . 58.1 t -62.65 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.439 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 51.8 mtpt -56.11 -33.68 65.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.526 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.449 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 63.7 t80 -63.52 -52.85 59.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.816 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -67.57 -30.36 69.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.773 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.599 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.1 mt -73.85 -38.64 64.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.33 -30.34 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.978 0.418 . . . . 0.0 110.175 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 30.1 mmmt -57.91 -41.45 82.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.073 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.599 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.3 m -77.28 -32.56 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.216 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 14.1 t80 -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.504 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 88.3 mtt180 -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.561 . . . . 0.0 110.529 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' B' ' 76' ' ' VAL . 64.4 mt -70.91 -46.32 68.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.96 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -68.78 -22.82 64.26 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.128 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.438 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.418 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -59.81 -33.58 71.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 56.1 mttt -61.13 -31.16 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.88 -52.57 55.85 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.255 0.55 . . . . 0.0 109.582 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.02 -32.24 72.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.347 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.61 -51.3 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 66.0 t -60.39 -36.53 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.723 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -52.56 -40.4 62.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.96 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.3 m-85 -68.3 -47.06 68.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.0 mm? -61.4 -31.95 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.692 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.42 -44.88 95.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.057 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -76.97 -10.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.652 ' HB3' HG21 ' B' ' 119' ' ' ILE . 79.0 mt -101.37 -2.83 29.99 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -105.54 -177.79 3.47 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.636 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -48.14 132.14 15.86 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.226 0.536 . . . . 0.0 111.963 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.78 33.99 57.0 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.526 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.24 -149.01 24.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.877 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.24 -46.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.857 0.36 . . . . 0.0 110.605 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.92 38.41 3.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.559 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 1.4 p90 -80.18 146.48 31.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.874 -172.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.411 ' HB2' HG12 ' B' ' 119' ' ' ILE . 7.6 m120 -123.58 147.16 47.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.7 -27.95 69.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.413 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.86 -35.35 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.638 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -70.94 -39.07 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 42.1 tt0 -58.94 -49.9 76.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.27 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.1 -43.05 99.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.703 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.42 -57.54 8.71 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.475 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 26.4 p -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.053 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 81.8 mm-40 -67.13 -51.68 50.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.543 0.211 . . . . 0.0 111.32 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.509 HG21 ' HG3' ' B' ' 59' ' ' GLU . 75.0 mt -58.94 -44.68 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.389 0.614 . . . . 0.0 110.469 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 15' ' ' PHE . 32.8 tp -70.09 -50.75 37.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.782 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.419 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.3 pp -65.81 -27.11 68.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.337 -175.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.82 -45.9 78.21 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.243 0.544 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.525 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.9 mmtt -85.29 -29.82 24.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.556 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 11' ' ' GLN . 79.3 mt -70.99 -24.97 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.25 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.31 -4.0 39.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.765 0.317 . . . . 0.0 110.626 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.314 0.578 . . . . 0.0 110.83 179.63 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.5 pt-20 . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.804 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 44.3 m-80 -72.56 -32.99 66.49 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.036 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -58.83 -40.58 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.52 ' HB3' HD13 ' B' ' 130' ' ' LEU . 13.4 mm100 -63.22 -43.04 99.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.101 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.729 HD23 HD12 ' B' ' 126' ' ' LEU . 59.7 mt -58.86 -51.03 71.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.809 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.0 mt -56.31 -54.34 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.331 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 6.0 m-20 -70.88 -24.41 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.276 -176.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CE1' HD21 ' B' ' 126' ' ' LEU . 61.2 t80 -67.58 -52.1 42.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.183 0.516 . . . . 0.0 109.729 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.5 -35.65 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.246 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 44.5 ttt180 -63.68 -46.97 83.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.238 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 45.8 mt-10 -70.73 -31.91 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.173 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.55 -54.54 39.84 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.779 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -70.73 -24.13 77.22 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.78 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.65 -35.03 76.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.726 0.298 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 18' ' ' GLU . 11.8 m -94.51 -12.45 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 110.485 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 96.23 21.9 21.27 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.237 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' B' ' 54' ' ' TYR . 87.6 mt -82.91 -11.61 58.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.741 0.781 . . . . 0.0 109.861 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' B' ' 73' ' ' LEU . 45.1 tp -104.92 -18.14 14.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.9 pt-20 -67.26 136.27 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 110.137 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 71' ' ' PHE . 33.8 p90 -139.04 177.23 8.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.736 -172.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -142.86 106.57 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.13 140.77 29.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.72 -172.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -87.33 167.64 13.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.479 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -50.61 -44.94 57.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.573 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.23 -40.44 86.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 41.8 mt-10 -66.99 -27.7 67.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -27.55 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.239 0.542 . . . . 0.0 109.937 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.5 -36.05 73.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.287 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 m -80.94 -24.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.908 0.385 . . . . 0.0 111.511 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 0.0 111.429 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.098 0.475 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.06 171.05 7.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.77 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 41.7 mt -83.83 174.35 10.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 110.648 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -92.36 -48.74 6.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.171 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 62.7 m -77.66 123.49 26.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.557 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.82 -39.14 90.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.076 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.91 -15.38 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.336 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.79 -40.43 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.298 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -58.9 -38.45 78.91 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.707 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -50.35 -51.73 43.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.08 -40.41 85.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.076 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 24' ' ' LEU . 73.6 t80 -60.2 -30.53 69.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.5 mm-40 -90.66 -20.76 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.385 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -104.44 -5.72 21.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -111.39 83.03 1.7 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.572 0.701 . . . . 0.0 110.313 178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.28 -22.22 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.663 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.652 ' HA ' ' OE1' ' B' ' 62' ' ' GLU . 2.0 pm0 -74.92 -19.81 59.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.449 0.642 . . . . 0.0 109.473 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.19 -48.68 9.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.189 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -61.46 -24.57 66.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.652 ' OE1' ' HA ' ' B' ' 59' ' ' GLU . 10.6 pt-20 -72.24 -20.11 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.977 0.418 . . . . 0.0 109.878 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.98 -34.61 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.8 mm? -71.6 7.56 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.638 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -89.19 -12.07 41.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.212 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.618 ' O ' HG22 ' B' ' 69' ' ' VAL . 91.4 m-85 -95.13 116.8 29.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -62.42 -27.14 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -36.85 83.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.147 0.499 . . . . 0.0 110.849 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.618 HG22 ' O ' ' B' ' 66' ' ' TYR . 1.8 m -81.87 -39.67 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 26.1 mtpp -62.68 -36.09 81.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.935 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.497 ' CG ' HD13 ' A' ' 37' ' ' LEU . 58.6 t80 -57.11 -51.79 67.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.892 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -70.27 -29.56 66.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.224 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 25' ' ' LEU . 92.9 mt -72.77 -37.59 67.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.395 176.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.02 -31.18 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.6 mmmt -58.9 -41.78 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.757 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.1 m -79.6 -32.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.281 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.3 t80 -56.56 -40.78 75.76 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.404 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 45.4 mtp180 -63.11 -35.73 81.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.6 -49.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.126 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' B' ' 80' ' ' LEU . 2.0 mm? -60.87 -20.72 62.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.647 0.26 . . . . 0.0 111.544 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 178.81 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.728 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -71.88 -30.94 65.93 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.103 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.58 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.9 mptm? -56.11 -41.92 76.03 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.261 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.18 -57.0 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.89 -31.12 70.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.334 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -67.38 -46.24 73.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.606 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 98' ' ' LYS . 87.3 t -60.48 -30.68 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 110.624 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.38 -30.78 71.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.257 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.7 m-85 -80.33 -41.79 24.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.586 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.8 mm? -61.43 -30.12 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -68.54 -26.91 65.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.488 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -89.5 -6.26 56.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.397 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.533 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 82.3 mt -103.8 -3.05 25.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.694 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -96.27 159.34 15.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 63.7 t80 -48.56 130.37 17.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 111.645 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.14 58.08 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.995 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.8 -151.1 15.95 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.249 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.47 -40.67 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.687 0.279 . . . . 0.0 111.421 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -133.52 42.65 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.533 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 2.5 p90 -74.58 151.39 39.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.545 -172.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.483 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.8 m120 -112.88 136.95 51.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.153 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.2 OUTLIER -60.9 -29.54 69.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.737 178.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.608 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.54 -44.13 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.701 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' B' ' 108' ' ' LEU . 42.6 mm -60.43 -36.53 70.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 110.559 176.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.507 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 43.5 tt0 -58.58 -40.18 82.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.759 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.452 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -49.96 -60.64 2.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.4 p -56.11 -44.16 78.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.625 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 75.7 mm-40 -64.99 -53.01 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.781 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.428 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.4 mt -62.0 -41.37 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.204 0.526 . . . . 0.0 111.116 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -69.74 -59.14 3.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.279 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.4 pp -59.41 -30.13 68.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.315 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 19.7 t70 -55.63 -54.0 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.27 -35.23 71.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.562 HD12 HD13 ' B' ' 126' ' ' LEU . 56.1 mt -70.79 -15.76 62.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.769 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -102.93 -15.5 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.115 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.376 0.607 . . . . 0.0 110.736 179.428 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 111.039 0.015 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.75 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -58.13 -32.78 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.143 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.86 -42.02 99.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.085 0.469 . . . . 0.0 110.017 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -75.11 -36.01 61.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.484 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.4 mp -54.54 -45.14 73.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.869 176.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.7 mt -61.1 -48.9 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.415 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.25 -30.97 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.395 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.4 t80 -64.03 -53.89 42.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.893 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.1 mt -56.77 -40.8 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.843 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -61.93 -41.97 98.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.294 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 64.5 mt-10 -67.38 -33.65 75.64 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 176.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.0 mt -56.72 -52.04 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 110.618 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.89 -15.98 72.07 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.536 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -80.01 -30.37 39.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.557 0.218 . . . . 0.0 111.032 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 HD13 ' A' ' 24' ' ' LEU . 4.1 m -102.09 -21.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.645 0.26 . . . . 0.0 111.486 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.63 20.57 4.58 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.87 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 mp -91.46 -27.35 18.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.865 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 73' ' ' LEU . 47.8 tp -93.21 -14.55 26.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.368 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.99 139.99 57.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.336 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 45.9 p90 -143.91 175.14 10.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.731 -173.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -145.14 110.35 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 92.1 mt -98.49 131.01 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -177.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -84.09 175.72 9.3 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.651 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.1 OUTLIER -61.56 -38.3 86.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.103 -178.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -61.7 -41.5 97.68 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.887 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.1 mt-10 -74.25 -32.54 63.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.496 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.96 -27.16 60.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.299 0.571 . . . . 0.0 109.919 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.7 -38.06 80.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.035 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 m -84.31 -23.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.457 -177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 68.3 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.677 0.275 . . . . 0.0 111.604 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.507 ' HB2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -112.24 161.04 17.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 19' ' ' LEU . 44.5 mt -78.38 175.25 10.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.692 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -97.48 -37.87 9.81 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.517 -173.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.5 m -85.05 122.5 29.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -63.62 -34.9 78.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.334 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.37 79.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -79.11 -45.3 20.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.067 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.8 t70 -57.06 -34.88 68.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.57 -53.98 26.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.109 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.9 mp -65.94 -40.25 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.91 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.474 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 74.5 t80 -60.23 -39.61 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.081 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' B' ' 54' ' ' TYR . 56.4 mm-40 -83.84 -19.43 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 110.563 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.6 24.35 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.118 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -146.74 97.82 2.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.051 0.453 . . . . 0.0 110.741 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.99 61.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 35.8 mm-40 -70.53 -38.95 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.159 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.88 -33.47 62.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.479 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 18.6 tp60 -65.99 -43.23 88.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.357 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.7 pt-20 -62.72 -34.91 78.15 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.287 -173.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.09 -36.33 83.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.98 10.6 9.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 32.0 mmmt -100.07 -3.86 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -105.69 136.33 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.051 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 95.4 m-20 -74.08 -20.91 60.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.515 -176.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 88.1 m -71.01 -43.8 67.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.856 0.836 . . . . 0.0 109.758 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.51 -55.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.022 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 55.7 mtmt -56.3 -37.92 70.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.956 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -57.55 -52.42 65.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.0 111.118 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.457 ' HB3' HD13 ' B' ' 108' ' ' LEU . 25.1 m80 -70.62 -27.33 63.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.363 -176.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.613 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt -77.6 -34.04 53.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.819 0.342 . . . . 0.0 110.744 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.49 -26.82 68.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.791 177.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.64 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.613 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -84.38 -31.5 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.183 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.3 t80 -58.81 -40.49 84.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.954 0.407 . . . . 0.0 110.405 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 76.1 mtt180 -62.3 -28.82 70.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.665 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.09 -56.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.902 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.516 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -57.62 -30.61 65.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.433 -178.03 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.565 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -59.75 -35.55 74.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.29 178.518 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.8 mptt -48.47 -57.11 6.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.262 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -55.36 -55.89 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.14 -38.11 75.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' ' 13' ' ' LEU . . . -65.62 -50.07 66.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 98' ' ' LYS . 49.1 t -63.53 -31.79 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.808 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.421 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 14.7 m-80 -62.51 -22.59 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.802 178.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.37 -40.21 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.61 -26.81 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.669 0.271 . . . . 0.0 110.477 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 14.2 m120 -61.95 -24.64 67.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.423 ' HB ' HG12 ' B' ' 113' ' ' ILE . 32.4 p -99.01 -2.49 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.6 mt -116.52 -31.98 5.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.651 HH21 ' NE2' ' B' ' 124' ' ' GLN . 74.1 ttt180 -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.774 -170.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -125.43 119.6 28.71 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.877 -174.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.23 55.82 27.19 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.655 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.76 -168.98 23.45 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.112 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.423 HG12 ' HB ' ' B' ' 107' ' ' THR . 13.5 pt -103.1 -33.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.249 0.547 . . . . 0.0 110.768 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.67 41.31 3.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.581 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -80.7 138.74 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.131 -169.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.573 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.9 m120 -113.2 137.25 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.622 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 15.0 pt-20 -60.68 -25.48 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.404 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.127 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.573 HG12 ' HB2' ' B' ' 116' ' ' ASN . 43.9 mm -72.04 -37.63 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 8.9 tp10 -65.24 -46.88 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.605 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 21.9 mm-40 -56.38 -45.11 80.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.96 -56.58 16.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.456 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.04 -46.47 89.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.138 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.651 ' NE2' HH21 ' B' ' 109' ' ' ARG . 79.0 mm-40 -63.12 -53.91 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.715 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.403 HD11 ' CE2' ' A' ' 15' ' ' PHE . 42.3 tp -68.89 -49.05 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.445 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.62 -30.12 70.79 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.198 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -54.37 -46.95 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.693 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.466 ' HB2' HG12 ' B' ' 53' ' ' ILE . 33.8 mmtp -84.61 -25.24 28.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.901 -177.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 72.5 mt -72.49 -25.63 61.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.0 110.712 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -14.83 54.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 109.857 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.96 -177.521 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.4 pt-20 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.088 0.471 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 p30 -69.51 -36.06 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.325 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -57.6 -34.17 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.09 0.471 . . . . 0.0 110.304 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.46 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.3 mm100 -77.56 -40.18 43.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.296 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 9' ' ' ASN . 95.4 mt -55.91 -46.92 78.29 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.028 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.0 mt -58.92 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.482 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -29.45 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.48 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.1 t80 -69.47 -53.17 20.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.195 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 19' ' ' LEU . 77.9 mt -55.67 -39.96 57.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.391 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 77.8 ttt180 -61.16 -44.59 97.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 56.1 mt-10 -64.82 -35.17 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.285 177.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.576 HD23 HD21 ' B' ' 45' ' ' LEU . 74.5 mt -57.74 -52.99 63.2 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.192 0.52 . . . . 0.0 110.281 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -23.72 77.8 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.828 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.92 -30.22 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.824 0.312 . . . . 0.0 111.384 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' GLU . 29.3 m -98.55 -20.25 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.748 0.309 . . . . 0.0 110.936 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.3 28.11 5.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.441 -0.885 . . . . 0.0 113.395 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' HE3' ' B' ' 43' ' ' LYS . 56.6 mt -96.27 -27.73 14.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.071 0.462 . . . . 0.0 110.73 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' B' ' 73' ' ' LEU . 58.3 tp -86.06 -21.98 27.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.336 178.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.69 138.23 47.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.598 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 49.5 p90 -146.63 178.29 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.726 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -145.65 138.53 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.46 HD13 HD12 ' A' ' 37' ' ' LEU . 59.5 mt -119.15 134.15 55.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m -86.26 172.06 10.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -57.97 -40.53 80.87 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.828 0.347 . . . . 0.0 110.609 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.66 -41.02 98.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 mm-40 -67.95 -32.77 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.13 -27.84 61.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.262 0.553 . . . . 0.0 110.214 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.31 -35.65 80.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.299 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.44 -21.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.8 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.589 -176.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.435 ' HE3' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 111.153 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.51 178.76 4.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.672 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.576 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -75.28 173.31 11.03 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.28 0.562 . . . . 0.0 110.514 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -91.77 -36.57 13.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.27 -174.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 43.7 m -96.79 127.01 42.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.36 -36.66 84.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.215 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.31 71.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.473 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -81.85 -44.2 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.38 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 28.6 t70 -54.75 -41.07 70.0 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.096 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -51.56 -49.27 62.38 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.35 -41.64 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 110.937 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.55 -25.26 67.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 56.3 mm-40 -95.37 -39.2 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.495 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.13 -27.57 61.76 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.827 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.6 m -110.72 85.02 2.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.262 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -26.0 68.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.556 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 35.7 mt-10 -61.9 -36.33 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.045 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.27 -39.79 65.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.288 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -63.07 -42.21 99.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.609 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.7 pt-20 -68.64 -23.5 64.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -173.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 84.3 mt -70.42 -38.55 74.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.204 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.3 mm? -72.73 7.95 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.837 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -99.49 5.72 46.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.919 0.39 . . . . 0.0 110.459 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.494 ' O ' HG22 ' B' ' 69' ' ' VAL . 84.4 m-85 -105.02 119.43 38.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.46 -33.42 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.978 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.421 HG23 ' CD2' ' A' ' 37' ' ' LEU . 97.3 m -62.08 -36.11 80.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' B' ' 118' ' ' ALA . 1.3 m -83.44 -38.99 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 25.8 mtpp -61.28 -40.82 95.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.819 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 42.7 t80 -55.77 -51.99 65.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.143 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -68.26 -35.81 78.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.538 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.625 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.1 mt -73.91 -34.85 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 110.998 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.22 -31.27 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.4 mtpt -63.26 -29.86 71.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -82.48 -33.33 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -60.78 -34.87 75.14 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.012 0.434 . . . . 0.0 110.129 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 23.4 mtp180 -60.71 -27.48 67.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.955 176.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -78.89 -44.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.669 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.3 mm? -69.32 -21.19 63.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.277 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.935 177.853 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.811 0 CA-C-O 121.074 0.464 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.586 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -62.07 -35.86 79.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.366 177.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.548 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.6 mptm? -58.99 -43.39 91.47 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.785 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.08 -52.33 66.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -36.86 78.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.779 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.85 -46.03 89.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.398 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 98' ' ' LYS . 92.6 t -60.48 -37.75 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 110.63 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -61.04 -33.64 73.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.531 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.8 m-85 -72.27 -44.0 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.593 0.235 . . . . 0.0 110.482 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.1 mm? -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.666 177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.59 -33.41 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 75.9 p -81.2 -11.81 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.988 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 41.5 mt -106.06 -6.63 18.55 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.404 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' B' ' 110' ' ' TYR . 30.5 ttp180 -69.26 158.24 35.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.943 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.54 ' N ' ' HG2' ' B' ' 109' ' ' ARG . 83.2 t80 -50.37 128.83 20.64 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.69 33.87 41.12 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.83 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.62 -148.72 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.1 pt -112.76 -49.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.075 0.464 . . . . 0.0 111.164 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -121.73 46.49 2.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -80.63 151.24 29.12 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.956 -171.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.32 142.82 49.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.5 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 1.3 pm0 -65.74 -26.65 67.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.287 -176.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.587 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -78.32 -44.01 26.37 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.289 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' B' ' 108' ' ' LEU . 43.2 mm -57.58 -41.07 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 31.2 tt0 -56.0 -56.33 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.377 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.54 -28.55 67.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.684 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 68.5 t80 -55.06 -58.71 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.519 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.1 p -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.711 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 30.4 mm-40 -70.36 -62.49 1.37 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 61.9 mt -57.86 -35.11 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.276 0.56 . . . . 0.0 110.665 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.1 tp -72.1 -53.64 12.2 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.418 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 127' ' ' LEU . 1.7 pp -65.47 -29.26 69.9 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.15 -51.01 67.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.109 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -77.77 -30.72 51.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.823 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 11' ' ' GLN . 73.3 mt -64.12 -29.77 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.992 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -91.57 -13.71 31.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 0.0 110.772 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.169 0.509 . . . . 0.0 111.633 -178.335 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.3 pt-20 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.765 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 42.6 m-80 -60.7 -41.87 96.05 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.358 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -55.86 -39.85 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.62 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -73.79 -40.31 63.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 178.209 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 83.4 mt -55.85 -48.96 74.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.292 177.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 39.8 mt -53.59 -51.02 64.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.968 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -76.44 -28.65 56.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 19' ' ' LEU . 76.1 t80 -63.64 -54.9 28.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.04 -35.23 63.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.442 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 66.6 ttt180 -62.41 -46.1 90.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.968 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 22' ' ' VAL . 48.8 mt-10 -66.26 -34.77 78.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.091 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 15' ' ' PHE . 6.7 mp -53.81 -58.6 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 110.722 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.34 -21.05 68.11 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.0 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.12 -33.34 59.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.884 0.342 . . . . 0.0 111.349 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG23 ' HG ' ' A' ' 24' ' ' LEU . 16.1 m -97.38 -19.53 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.029 0.442 . . . . 0.0 110.86 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.0 29.85 4.17 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.079 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.5 mt -95.64 0.53 52.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.119 0.485 . . . . 0.0 110.555 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD13 ' HA ' ' B' ' 74' ' ' ALA . 2.2 mt -113.94 -20.74 10.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.081 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.3 135.29 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.636 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.71 174.68 11.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.659 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.02 109.02 2.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.3 mt -83.18 135.92 34.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.463 -172.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -93.12 175.7 6.68 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.22 -41.36 68.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.791 0.329 . . . . 0.0 111.276 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.63 -33.11 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.059 0.457 . . . . 0.0 110.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -79.25 -26.48 42.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.118 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.8 mttt -81.92 -29.36 32.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.365 0.602 . . . . 0.0 109.841 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.22 -34.18 77.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.394 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -84.72 -24.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 59.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.665 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.034 0.445 . . . . 0.0 110.25 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.92 172.74 6.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.65 175.94 8.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.02 0.438 . . . . 0.0 110.969 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -95.13 -44.86 7.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.345 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 37.6 m -82.39 123.05 28.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.838 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.45 -32.52 74.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.229 -176.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.49 -33.3 73.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.652 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -86.94 -40.91 14.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.24 0.543 . . . . 0.0 110.512 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -54.46 -38.21 66.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.633 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.89 -49.5 62.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.568 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -65.98 -35.22 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 35.9 t80 -61.13 -39.24 89.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.612 0.244 . . . . 0.0 110.872 -176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.334 0.588 . . . . 0.0 110.818 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -78.37 -0.46 29.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.71 -172.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -128.72 83.66 2.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.452 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.76 -18.88 65.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.531 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.582 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -76.91 -22.49 53.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.939 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.86 -35.45 24.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -65.88 -36.54 83.7 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.45 -20.69 60.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 111.087 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.453 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -73.79 -23.8 59.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 35.3 mt -82.32 16.21 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.205 0.526 . . . . 0.0 110.808 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -101.67 10.01 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.263 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.652 ' O ' HG22 ' B' ' 69' ' ' VAL . 59.6 m-85 -109.96 114.62 28.3 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -62.44 -29.37 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.234 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' B' ' 118' ' ' ALA . 3.2 m -83.35 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.605 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 58.0 mtpt -60.56 -38.91 86.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.028 0.442 . . . . 0.0 109.812 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.704 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 52.9 t80 -55.97 -52.39 64.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.612 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -71.13 -38.4 72.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 85.3 mt -64.64 -48.97 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 111.066 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.61 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 51.3 mtpt -63.55 -36.77 84.87 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.699 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -75.11 -34.19 30.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 12.2 t80 -57.78 -41.2 81.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 72.3 mtp180 -58.81 -34.97 72.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.757 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 73.6 mt -64.0 -40.43 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.713 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.13 -16.64 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.942 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 172.806 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.556 HD12 HD23 ' B' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.815 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.516 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.0 mptp? -54.54 -48.75 71.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.501 173.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.14 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.721 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.556 HD23 HD12 ' B' ' 96' ' ' LEU . 4.6 mm? -61.32 -36.38 79.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.204 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 98' ' ' LYS . 78.0 t -58.28 -38.14 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.779 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.37 -36.77 71.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.72 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.8 m-85 -72.4 -43.22 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.849 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.26 -26.97 68.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.553 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.15 -34.77 73.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.214 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 78.3 p -78.48 -16.49 57.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.67 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 59.0 mt -98.58 3.09 47.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.419 HH22 ' NE2' ' B' ' 124' ' ' GLN . 2.0 tpt85 -76.27 160.03 30.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.682 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -64.38 111.67 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.41 40.88 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.032 -175.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.84 -141.1 0.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.302 -0.475 . . . . 0.0 111.948 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 pt -113.52 -43.71 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 122.558 -0.378 . . . . 0.0 111.65 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -131.78 46.03 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.5 p90 -72.91 146.76 45.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.143 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.554 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -111.41 139.64 46.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.0 -31.73 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.951 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.06 -28.61 54.76 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.474 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.554 HG12 ' HB2' ' B' ' 116' ' ' ASN . 33.1 mm -65.84 -41.75 90.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.1 0.476 . . . . 0.0 109.874 174.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 0.5 OUTLIER -59.78 -54.18 49.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.583 177.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.905 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.08 -58.87 6.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.304 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.6 p -61.6 -41.06 96.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 80.2 mm-40 -59.16 -62.31 1.98 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.03 0.206 . . . . 0.0 111.22 -177.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.582 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -55.29 -42.01 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.41 0.624 . . . . 0.0 111.322 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -70.98 -59.4 2.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.464 -175.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.5 pp -58.21 -31.73 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.42 -49.25 72.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.961 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.568 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.8 mmtt -77.99 -28.9 49.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.584 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 11' ' ' GLN . 91.7 mt -70.23 -24.49 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 176.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -95.95 -8.44 33.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.85 0.357 . . . . 0.0 110.996 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.192 0.52 . . . . 0.0 111.219 -178.865 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.497 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.9 pt-20 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 p30 -55.0 -31.11 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.455 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -57.88 -30.52 65.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.4 mm100 -84.34 -38.14 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.98 0.419 . . . . 0.0 110.158 176.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 8' ' ' GLU . 10.0 mp -56.45 -49.32 74.95 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.387 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 52.2 mt -53.84 -53.72 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.669 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -37.37 85.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.012 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' HD13 ' A' ' 19' ' ' LEU . 79.3 t80 -60.5 -55.95 27.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.305 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.24 -35.58 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -64.24 -44.85 90.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' VAL . 67.6 mt-10 -64.66 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.398 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 15' ' ' PHE . 8.0 mp -58.14 -56.83 16.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 175.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.71 70.75 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.521 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.66 -37.39 79.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.508 0.194 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 HD13 ' A' ' 24' ' ' LEU . 6.4 m -104.21 -22.54 4.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.81 37.6 1.04 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.027 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 HG23 ' A' ' 22' ' ' VAL . 1.6 mp -96.99 -15.01 21.29 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.555 0.693 . . . . 0.0 110.008 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' B' ' 74' ' ' ALA . 9.5 mt -99.83 -15.11 18.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.878 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.38 125.33 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.039 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' HD1' ' O ' ' A' ' 25' ' ' LEU . 48.8 p90 -140.73 176.97 8.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.982 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.2 135.02 20.03 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.35 135.83 54.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.9 p -84.6 175.29 9.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.833 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.89 -41.27 82.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.32 -50.24 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.5 mt-10 -64.4 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.8 -32.42 52.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 110.361 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.052 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.87 -22.67 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.413 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 63.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.01 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.157 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.574 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.6 p -101.51 166.73 10.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.839 0.352 . . . . 0.0 111.44 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 19' ' ' LEU . 52.9 mt -80.38 178.77 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.852 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.2 mmmm -89.68 -48.7 7.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.31 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -88.19 127.63 35.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.028 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.41 -35.22 80.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.82 -20.41 65.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.785 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.16 -44.23 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.224 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.2 t70 -55.96 -35.75 67.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.859 -178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -50.38 -51.04 49.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.355 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.525 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.2 mp -66.8 -39.79 84.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.887 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -61.67 -33.79 74.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.574 ' NE2' HG22 ' B' ' 44' ' ' THR . 70.0 mm-40 -86.82 -24.19 25.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -104.88 17.02 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.12 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -141.76 99.79 3.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.229 0.538 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.4 -21.88 55.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.28 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.0 pt-20 -80.04 -24.33 40.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.42 -35.46 25.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -65.55 -39.77 92.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.626 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.61 -22.78 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.649 0.261 . . . . 0.0 111.595 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.94 -30.23 65.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -82.12 4.41 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.13 -17.75 28.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -88.87 122.83 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.777 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.14 -26.48 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.2 m -69.89 -36.43 75.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.825 0.822 . . . . 0.0 109.87 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 87.5 t -75.86 -56.53 8.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.533 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.45 -22.38 66.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.441 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.65 -51.01 71.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.1 0.476 . . . . 0.0 110.638 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -71.29 -28.16 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.135 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt -74.63 -46.16 40.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.924 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -63.91 -23.24 67.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.361 -0.212 . . . . 0.0 111.531 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.555 0.216 . . . . 0.0 110.796 171.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -75.09 -27.7 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.46 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.44 -40.01 81.39 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.063 0.459 . . . . 0.0 110.486 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.56 -32.83 74.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.177 0.513 . . . . 0.0 110.068 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -43.26 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.853 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.1 mm? -65.49 -10.25 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.017 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.244 176.228 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.422 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -61.91 -37.32 84.19 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.557 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.6 mptp? -55.54 -44.64 76.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 175.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.5 -51.4 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -33.21 73.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.89 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.57 -51.09 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.221 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 98' ' ' LYS . 40.9 t -61.28 -34.57 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -53.13 -36.26 60.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.407 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.3 m-85 -74.86 -42.11 58.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.389 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.69 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.398 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -101.42 -2.05 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 109.95 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.4 mm? -103.29 -13.68 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.18 152.62 39.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.081 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.41 121.53 3.48 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.72 0.638 . . . . 0.0 110.888 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.98 56.87 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.705 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 -170.07 11.9 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.267 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 114' ' ' HIS . 21.5 pt -84.17 -49.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.438 ' N ' HG13 ' B' ' 113' ' ' ILE . 26.3 m80 -127.25 39.77 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -74.87 136.35 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.429 0.633 . . . . 0.0 110.523 -174.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.57 ' HB2' HG12 ' B' ' 119' ' ' ILE . 14.7 m120 -108.16 135.05 50.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.632 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -63.95 -28.04 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -75.28 -22.44 57.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.462 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.57 HG12 ' HB2' ' B' ' 116' ' ' ASN . 26.2 mm -76.62 -37.14 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.44 -49.02 78.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.013 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.03 -60.71 2.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.996 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 p -60.17 -39.97 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.135 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -62.64 -58.35 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' B' ' 59' ' ' GLU . 52.7 mt -59.48 -41.17 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.57 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.82 -60.35 2.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.757 -174.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -34.87 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -175.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.28 -40.15 93.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.68 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.422 ' CB ' HG12 ' B' ' 53' ' ' ILE . 34.9 mmtp -77.14 -30.5 55.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.636 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 11' ' ' GLN . 62.3 mt -73.81 -22.18 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.829 0.347 . . . . 0.0 111.214 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -85.94 -17.12 36.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.102 0.477 . . . . 0.0 110.149 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.811 -179.108 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.785 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.571 0.224 . . . . 0.0 110.924 177.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -66.77 -31.66 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.205 0.526 . . . . 0.0 110.122 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' B' ' 130' ' ' LEU . 11.5 mm100 -76.6 -43.31 39.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.527 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.4 mp -50.2 -54.56 20.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.825 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.2 mt -54.27 -50.78 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.907 -172.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 2.3 t70 -76.73 -27.12 55.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.438 -174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 68.8 t80 -62.62 -52.69 62.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.128 0.49 . . . . 0.0 109.935 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.17 -39.34 72.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.222 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 40.5 ttt180 -61.73 -43.89 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.766 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 57.7 mt-10 -61.83 -39.03 90.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 mt -57.49 -47.5 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.163 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.79 -24.41 76.35 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.652 -0.703 . . . . 0.0 113.236 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.17 -30.83 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.429 0.615 . . . . 0.0 111.243 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.4 m -101.79 -11.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.539 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.47 37.4 5.59 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.057 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' HG23 ' A' ' 22' ' ' VAL . 94.7 mt -103.26 -23.72 13.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.354 0.597 . . . . 0.0 109.931 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 73' ' ' LEU . 66.5 tp -92.08 -11.4 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.802 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.11 144.03 55.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.42 175.19 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.157 0.503 . . . . 0.0 111.495 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -147.69 127.38 13.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.711 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 73.9 mt -108.3 133.66 52.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.955 0.407 . . . . 0.0 111.986 -173.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 175.25 7.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.391 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -56.87 -41.44 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.419 . . . . 0.0 110.66 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.22 -43.2 95.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.696 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.596 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.1 mm-40 -67.88 -32.32 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.327 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.7 mttt -73.48 -30.4 63.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.328 0.585 . . . . 0.0 109.739 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.15 -34.87 68.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.078 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.47 -25.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.626 0.25 . . . . 0.0 111.373 -177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.627 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.43 HG22 ' NE2' ' B' ' 55' ' ' GLN . 4.2 p -108.52 165.52 11.47 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.545 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 19' ' ' LEU . 42.9 mt -77.1 179.77 6.08 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.247 0.546 . . . . 0.0 111.954 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -86.36 -41.81 14.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -99.31 129.94 45.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.976 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.38 -31.89 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.871 0.367 . . . . 0.0 110.686 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.24 63.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -98.99 -44.91 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.153 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.9 t70 -55.63 -36.01 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.457 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.88 -46.95 64.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.472 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.1 mp -70.34 -41.3 78.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.881 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.489 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 89.7 t80 -59.45 -37.86 79.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.894 0.378 . . . . 0.0 110.944 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.8 mm-40 -81.11 -21.04 40.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -113.85 31.99 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.405 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -147.49 102.8 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.063 0.458 . . . . 0.0 110.53 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.61 -32.22 57.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.381 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 12.6 mm-40 -66.77 -36.17 81.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.314 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.53 -28.51 61.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.86 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 6.6 tp-100 -78.34 -36.63 46.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.569 -178.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 20.1 pt-20 -62.83 -29.41 70.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.025 0.441 . . . . 0.0 110.346 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.38 -38.2 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.19 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.12 5.4 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.535 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 30.4 mmmt -97.38 -14.52 21.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.106 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -83.8 132.8 34.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -67.96 -27.19 66.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 37' ' ' LEU . 80.0 m -74.98 -34.4 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.499 0.666 . . . . 0.0 110.259 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.419 HG13 HD13 ' B' ' 119' ' ' ILE . 92.0 t -71.69 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.115 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -55.25 -36.8 66.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.73 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.529 ' CG ' HD13 ' A' ' 37' ' ' LEU . 54.6 t80 -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.302 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -71.5 -35.98 70.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.647 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.8 mt -72.0 -33.4 68.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.671 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.72 -31.41 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.797 0.332 . . . . 0.0 110.623 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.7 mtpt -65.23 -29.66 70.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.647 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.3 m -83.54 -31.3 8.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.601 -0.44 . . . . 0.0 109.832 177.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.1 t80 -59.56 -38.57 81.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.046 0.451 . . . . 0.0 110.141 176.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 93.4 mtt180 -59.72 -32.09 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.327 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -71.17 -54.43 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.544 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -59.74 -23.94 63.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.681 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.987 177.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -63.94 -39.77 94.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.588 177.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.9 mptt -55.25 -48.1 74.45 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.366 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.35 -54.09 50.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.96 -37.48 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.19 -48.49 73.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 48.0 t -63.48 -32.71 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 0.0 110.709 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -54.21 -35.11 62.04 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.633 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.1 m-85 -73.65 -46.41 46.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.5 mm? -60.19 -33.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.47 -37.11 86.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.89 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 59.2 p -81.6 -5.51 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.998 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 84.4 mt -104.07 -9.33 18.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.671 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.88 170.19 9.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -48.08 131.72 15.77 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.299 0.571 . . . . 0.0 111.872 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.56 45.52 7.3 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.212 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.02 -166.56 12.4 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.593 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.9 pt -95.43 -44.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.903 0.382 . . . . 0.0 111.407 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -126.12 40.38 3.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -78.92 143.44 35.83 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.068 -170.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -134.04 132.89 40.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.105 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.49 -23.97 67.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.666 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.5 65.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -75.44 -39.07 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.34 -45.85 86.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.952 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -44.45 94.25 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.207 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -51.75 -54.47 28.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.187 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.31 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.558 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 80.1 mm-40 -66.36 -51.92 52.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.257 -171.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.11 -39.43 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.179 0.514 . . . . 0.0 110.926 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.468 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -70.45 -58.4 3.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.998 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.5 pp -59.35 -31.1 68.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.505 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 16.8 t70 -54.79 -48.92 72.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.801 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.468 ' HB2' HG12 ' B' ' 53' ' ' ILE . 61.0 mmtt -80.09 -27.82 39.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.951 -175.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 11' ' ' GLN . 90.9 mt -70.43 -35.03 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.632 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -81.73 -9.37 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.077 0.465 . . . . 0.0 110.267 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.291 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.594 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 p30 -59.14 -28.52 66.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.103 -175.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 m -52.29 -36.69 53.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 110.761 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' B' ' 130' ' ' LEU . 15.8 mm100 -83.88 -38.29 21.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.9 mp -57.9 -47.63 82.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.011 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 71.4 mt -55.83 -49.64 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.262 -173.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 8.3 m-20 -66.0 -36.44 83.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 t80 -62.03 -54.0 47.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 19' ' ' LEU . 68.7 mt -59.95 -37.9 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 0.0 110.433 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 72.1 ttt180 -62.17 -47.45 84.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.758 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 52.9 mt-10 -63.27 -31.92 73.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.6 mt -57.7 -51.57 69.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.066 0.46 . . . . 0.0 110.008 176.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.82 -26.08 74.63 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.215 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -68.6 -37.25 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.217 0.509 . . . . 0.0 111.389 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 18' ' ' GLU . 26.1 m -99.01 -20.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.324 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 103.61 38.08 2.86 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.012 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -107.87 -10.61 15.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.403 0.62 . . . . 0.0 110.492 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 74' ' ' ALA . 60.1 tp -97.38 -2.24 42.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.666 171.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 6.2 pt-20 -53.77 141.67 26.08 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.501 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -150.69 167.34 27.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.352 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -153.98 114.49 3.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 56.0 mt -93.15 133.11 36.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.117 -172.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -96.93 179.53 4.91 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.39 -38.51 71.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 110.698 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -66.08 -42.77 88.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 15.4 mm-40 -71.65 -33.73 69.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.158 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 99.1 mttt -79.73 -22.03 43.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.73 -32.83 66.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.931 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -84.33 -26.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.918 0.39 . . . . 0.0 111.118 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 56.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.274 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.542 0.687 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.5 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -112.5 178.09 4.42 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.304 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.515 HD21 HD23 ' A' ' 19' ' ' LEU . 50.7 mt -75.73 -176.48 3.34 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.413 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 35.5 mtpt -92.34 -46.42 7.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.317 0.579 . . . . 0.0 109.943 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -89.08 126.52 35.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 174.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -67.76 -33.45 74.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.811 0.338 . . . . 0.0 110.717 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.855 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.26 -45.95 7.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.16 0.505 . . . . 0.0 109.967 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.14 -35.43 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.109 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -53.41 -48.48 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.37 -41.75 89.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 0.0 110.827 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -58.39 -35.77 72.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.726 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.1 mm-40 -86.23 -17.19 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -113.81 28.97 8.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -147.0 90.53 1.91 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.05 0.452 . . . . 0.0 111.074 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.29 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.671 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 28.7 mt-10 -65.03 -45.35 85.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.068 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.55 -34.81 79.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.688 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -70.64 -40.13 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.828 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.9 pt-20 -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 110.88 -174.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 44.9 mt -74.18 -33.06 63.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.301 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.578 ' O ' ' HD3' ' B' ' 70' ' ' LYS . 33.0 mt -77.78 17.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -104.17 -5.64 21.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.571 ' O ' HG22 ' B' ' 69' ' ' VAL . 94.4 m-85 -93.84 118.29 31.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 83.5 m-20 -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -59.01 -39.05 80.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 111.422 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -83.33 -40.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' B' ' 64' ' ' LEU . 57.8 mtmt -62.62 -36.76 83.81 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.26 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.565 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 50.6 t80 -55.17 -49.62 71.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.79 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -69.63 -38.31 77.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.131 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.8 mt -68.19 -36.87 80.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.01 -26.14 65.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 58.9 mtpt -66.67 -32.02 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -79.32 -31.66 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.728 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.39 -36.91 79.21 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.285 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 21.2 mtm180 -59.19 -34.11 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.212 0.53 . . . . 0.0 110.144 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.43 -46.38 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.262 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -68.54 -10.95 59.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.201 0.524 . . . . 0.0 110.464 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.449 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.757 177.018 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.445 ' C ' HD12 ' B' ' 96' ' ' LEU . 1.9 pp . . . . . 0 CA--C 1.521 -0.135 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -58.24 -34.34 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.426 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.62 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -59.08 -44.47 91.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.82 -47.9 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.46 -33.08 74.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.82 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.071 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.8 t -60.23 -36.24 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.547 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -57.12 -30.04 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.274 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.637 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.4 m-85 -79.54 -40.06 30.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.603 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.5 -29.62 67.3 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.799 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -69.37 -34.12 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.377 . . . . 0.0 110.715 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 45.0 p -81.69 -14.38 56.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.6 mt -95.5 -2.88 47.74 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.007 174.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -89.67 164.7 14.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.156 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.588 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 49.1 t80 -49.38 132.55 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 111.466 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.36 72.3 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.729 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.89 -152.45 22.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.281 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 pt -115.47 -33.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 0.0 111.267 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -130.79 39.39 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.572 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -76.0 139.09 41.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.352 0.596 . . . . 0.0 110.509 -174.271 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -118.39 144.74 45.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.779 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.81 72.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.081 -176.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -84.09 -29.77 26.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 108' ' ' LEU . 41.3 mm -64.38 -43.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.64 176.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.588 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 19.4 mt-10 -61.93 -48.68 79.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.695 176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.96 -41.73 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -55.39 -61.74 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.442 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . 0.474 ' HB2' HD21 ' A' ' 12' ' ' LEU . 26.2 p -59.73 -41.12 90.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.239 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 84.1 mm-40 -70.1 -46.1 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 -174.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.81 -35.65 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.555 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.507 HD13 HD12 ' B' ' 130' ' ' LEU . 1.2 tm? -68.98 -59.78 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.057 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 1.9 pp -57.42 -30.54 65.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.8 t70 -54.25 -51.28 65.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.122 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -81.22 -31.33 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.697 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.507 HD12 HD13 ' B' ' 126' ' ' LEU . 13.7 mt -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -91.47 -1.85 57.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.852 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.865 -179.775 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.8 pm0 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.19 0.519 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.746 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 p30 -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.106 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 t -59.49 -38.61 81.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.084 0.468 . . . . 0.0 109.775 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HB3' HD13 ' B' ' 130' ' ' LEU . 16.1 mm100 -72.59 -37.04 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.088 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 90.9 mt -56.72 -52.68 64.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 173.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 63.5 mt -57.48 -45.96 84.26 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.171 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.89 -36.23 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.342 -176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CD1' HD21 ' B' ' 126' ' ' LEU . 62.3 t80 -69.77 -52.77 22.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.627 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 19' ' ' LEU . 83.9 mt -54.73 -39.64 48.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.592 0.71 . . . . 0.0 110.414 177.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.522 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 68.7 ttt180 -61.63 -45.6 93.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.315 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.73 -28.79 69.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.592 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 45' ' ' LEU . 47.6 mt -62.91 -52.02 64.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.364 0.602 . . . . 0.0 110.145 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.76 -20.94 74.69 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.702 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.38 -38.36 74.71 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.16 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HD3' ' B' ' 46' ' ' LYS . 5.6 m -98.14 -19.82 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 111.349 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.45 38.11 2.89 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.82 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.9 mt -97.54 -27.45 14.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 110.127 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.4 tp -86.96 -17.07 33.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.71 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.35 142.42 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HE2' ' CB ' ' B' ' 74' ' ' ALA . 49.0 p90 -143.69 178.73 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 -171.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.21 133.78 23.48 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.39 139.31 51.03 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.969 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 p -92.34 171.22 9.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.779 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -56.31 -38.06 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.87 0.367 . . . . 0.0 111.304 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -67.37 -40.44 85.75 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.313 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.6 mt-10 -72.81 -28.73 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.64 -26.55 57.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.017 0.437 . . . . 0.0 110.257 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.99 -35.23 76.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.078 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -84.22 -23.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.91 0.385 . . . . 0.0 111.263 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.3 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.182 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.032 0.444 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.11 167.55 10.58 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.057 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 19' ' ' LEU . 39.1 mt -76.12 177.94 6.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 111.451 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.466 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.4 mmmm -84.91 -55.19 4.2 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.6 m -84.82 126.44 33.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.127 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -62.93 -35.23 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.405 ' O ' HD12 ' B' ' 53' ' ' ILE . . . -60.88 -36.43 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.627 177.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.11 -43.87 20.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.842 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.8 t70 -56.66 -34.88 67.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.38 -52.68 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.223 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.4 mp -67.09 -40.99 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.888 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.87 -36.97 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.052 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 72.1 mm-40 -83.26 -19.87 35.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.994 0.426 . . . . 0.0 110.457 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -110.77 30.57 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -146.13 85.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.219 0.533 . . . . 0.0 111.181 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.7 67.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 59' ' ' GLU . 1.4 pm0 -77.7 -20.33 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 tp -85.54 -45.91 11.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -56.09 -28.94 59.7 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.942 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.3 pt-20 -74.45 -24.06 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.693 -177.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.56 -33.44 47.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.037 0.446 . . . . 0.0 110.162 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.76 11.06 2.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.346 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.62 -9.38 23.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 109.883 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 90.2 m-85 -88.59 122.53 32.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.565 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.31 -23.46 67.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.928 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -67.24 -48.26 68.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' B' ' 119' ' ' ILE . 55.8 t -60.12 -57.84 9.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.769 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 24.3 mtpp -53.11 -37.14 61.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.375 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.07 -53.02 60.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -65.4 -36.01 82.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.975 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.64 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.1 mt -73.26 -33.23 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.52 -32.43 73.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 0.0 110.774 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -62.81 -31.95 73.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.031 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.64 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -83.29 -30.8 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 20.4 t80 -60.37 -36.34 77.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 97.3 mtt180 -58.46 -34.3 70.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.308 0.575 . . . . 0.0 110.563 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -71.62 -46.41 62.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.01 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.522 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -71.18 -15.77 62.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.455 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.403 HD12 ' C ' ' B' ' 96' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.57 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -65.11 -30.49 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.755 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.572 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -58.06 -38.99 77.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.901 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.15 -55.83 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.037 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.87 -36.31 74.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.659 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.49 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.28 -49.49 75.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.722 178.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 98' ' ' LYS . 61.0 t -61.91 -36.19 72.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.531 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.14 -29.6 65.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.101 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.3 -48.49 19.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.898 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.2 mm? -62.26 -25.29 67.75 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.005 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.73 -14.24 62.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.521 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.2 p -97.93 -10.85 23.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.205 0.526 . . . . 0.0 109.657 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.3 mm? -100.11 -23.14 14.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.094 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -72.6 149.7 43.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.091 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -46.3 110.99 0.32 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.732 0.645 . . . . 0.0 111.443 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.61 -10.81 11.32 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.49 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.11 -173.81 46.4 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.778 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 23.2 pt -82.25 -41.65 18.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.951 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -121.7 45.42 2.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.8 OUTLIER -74.95 148.29 40.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.588 -174.427 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.528 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -126.51 138.93 53.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.281 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.44 -23.66 63.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.365 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.85 65.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.682 HG21 ' HB3' ' B' ' 108' ' ' LEU . 23.7 mm -75.23 -39.14 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 14.4 tp10 -60.18 -51.36 69.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.208 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.44 -40.39 90.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.473 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.73 -56.09 20.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 62.0 m -55.16 -50.21 69.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.535 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 77.6 mm-40 -64.44 -57.08 10.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.732 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 74.7 mt -57.44 -41.02 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.928 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -69.83 -61.08 1.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.122 -177.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.404 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.5 pp -60.51 -28.28 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.633 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 20.6 t70 -57.49 -47.26 82.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 0.0 110.551 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' B' ' 53' ' ' ILE . 53.5 mmtt -77.81 -28.71 50.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.276 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' GLN . 89.4 mt -69.41 -32.92 72.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.642 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -85.84 -10.47 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.034 0.445 . . . . 0.0 110.435 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.237 178.388 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -32.42 103.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.55 3.5 . . . . 0.0 114.331 -172.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 65.99 87.64 0.12 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.695 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.0 mmm -69.69 -171.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.1 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -55.49 133.65 50.21 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.709 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.14 -178.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.367 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -111.39 11.48 21.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.172 0.51 . . . . 0.0 110.279 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.2 pt-20 -60.05 -49.67 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.754 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.792 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 8.5 m-80 -57.82 -41.92 83.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -55.91 -47.29 77.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.74 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.525 ' NE2' HD22 ' B' ' 130' ' ' LEU . 6.1 mt-30 -70.52 -38.94 74.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.9 mp -54.13 -43.13 70.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.28 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 58.3 mt -61.96 -51.54 67.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.438 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -69.73 -28.0 65.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.764 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.662 ' CD2' HD11 ' B' ' 126' ' ' LEU . 64.5 t80 -61.01 -57.24 13.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.787 174.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 72.9 mt -59.21 -35.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.655 0.74 . . . . 0.0 110.299 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 59.3 ttt180 -60.62 -43.01 97.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.133 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 52.9 mt-10 -66.11 -35.21 79.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.045 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 15' ' ' PHE . 9.7 mp -54.09 -51.7 63.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.96 0.41 . . . . 0.0 110.548 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.54 -17.19 77.75 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.234 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.03 -30.62 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 111.08 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG23 ' HG ' ' A' ' 24' ' ' LEU . 23.1 m -101.58 -17.95 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.61 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.14 32.23 3.83 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.844 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.8 mt -101.41 -6.69 23.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.006 0.431 . . . . 0.0 110.164 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 22.7 tp -105.99 -4.22 20.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.485 0.659 . . . . 0.0 110.706 -175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.03 142.69 45.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.575 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.647 ' HB3' ' HG2' ' B' ' 70' ' ' LYS . 55.1 p90 -152.97 172.41 16.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 111.929 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 134.11 22.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.963 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.2 mt -117.9 135.07 54.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.911 0.386 . . . . 0.0 111.11 -177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -83.38 168.99 16.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -52.75 -44.07 66.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.02 -40.58 96.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.2 mt-10 -70.34 -29.5 66.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.66 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -76.28 -29.49 57.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.223 0.535 . . . . 0.0 110.249 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.8 -34.33 69.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.233 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.98 -25.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 111.169 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 60.9 mt -94.85 -53.64 3.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.533 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.43 -28.31 26.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.46 -6.03 74.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.835 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.204 -0.903 . . . . 0.0 109.402 -179.206 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.511 0.196 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -100.89 -163.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 0.0 110.89 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 3.1 mptt -72.44 173.5 8.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.333 0.587 . . . . 0.0 111.249 -175.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.01 159.61 26.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.112 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 mt -74.01 171.86 12.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.338 0.589 . . . . 0.0 111.104 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -96.3 -36.59 10.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.121 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -93.65 124.52 37.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.869 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -65.14 -34.25 77.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.78 78.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -83.68 -41.04 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -55.14 -34.03 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.04 -50.9 63.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.049 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.2 mp -65.96 -47.32 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -55.67 -31.01 62.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.88 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.0 mm-40 -90.42 -22.13 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 111.099 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -107.75 26.44 10.31 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.7 m -147.08 88.3 1.72 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.162 0.506 . . . . 0.0 111.195 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.797 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 3.6 pm0 -68.73 -22.48 64.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.95 -37.64 23.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.501 ' HG3' ' NZ ' ' B' ' 65' ' ' LYS . 6.1 tp-100 -72.92 -33.23 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.42 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.25 -36.75 83.83 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.375 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 68.9 mt -68.18 -38.2 81.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.193 0.521 . . . . 0.0 110.434 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 31.4 tp -70.99 -9.12 57.43 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.301 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.501 ' NZ ' ' HG3' ' B' ' 61' ' ' GLN . 60.9 mttp -79.43 -24.66 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -72.04 128.34 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -64.55 -24.32 67.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.8 m -70.75 -38.31 73.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.497 0.665 . . . . 0.0 109.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.547 ' HA ' HD11 ' B' ' 119' ' ' ILE . 72.8 t -69.06 -57.86 7.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.856 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.647 ' HG2' ' HB3' ' A' ' 27' ' ' TYR . 4.1 tppp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 37' ' ' LEU . 40.8 t80 -61.86 -50.86 70.54 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -67.64 -27.71 67.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.424 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.484 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.9 mt -75.96 -28.3 57.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.422 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -69.62 -30.13 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.553 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.07 -39.2 81.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.484 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.3 m -84.1 -28.72 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.944 -176.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -61.14 -33.32 73.21 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.858 0.361 . . . . 0.0 110.688 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -58.02 -38.62 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.118 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 68.6 mt -69.75 -49.43 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.602 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.7 mm? -64.93 -18.48 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.059 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -89.23 -31.41 17.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 9.5 p -174.1 145.48 1.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.774 0.321 . . . . 0.0 111.287 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.72 ' HB ' ' OE1' ' B' ' 97' ' ' GLN . 14.6 t -89.89 -21.69 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.096 0.475 . . . . 0.0 109.88 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.61 163.32 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.708 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -90.08 14.73 11.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.53 0.681 . . . . 0.0 110.678 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -89.58 -39.03 13.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.128 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.2 -91.12 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.203 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 94.3 p 59.01 161.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.742 1.217 . . . . 0.0 112.659 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t 68.99 91.79 0.09 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.811 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.52 -64.41 0.5 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -136.71 2.55 2.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.535 0.684 . . . . 0.0 110.285 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.503 ' HA ' ' CE ' ' B' ' 92' ' ' MET . 3.2 mmt -151.27 -149.93 0.32 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.413 -1.267 . . . . 0.0 107.861 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' B' ' 92' ' ' MET . 5.1 t30 77.18 -28.09 0.17 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.46 0.475 . . . . 0.0 111.29 174.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . 0.405 ' H ' ' C ' ' B' ' 92' ' ' MET . 16.3 m -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.865 0.466 . . . . 0.0 111.916 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.18 -28.36 64.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.682 0.753 . . . . 0.0 109.468 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.08 -39.03 61.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.099 174.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.72 ' OE1' ' HB ' ' B' ' 83' ' ' THR . 16.2 mm100 -60.79 -30.77 70.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.471 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.8 mptt -52.61 -44.36 65.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.813 174.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -65.55 -51.94 56.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.18 -31.54 70.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.641 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -69.19 -48.76 61.22 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.564 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 98' ' ' LYS . 96.8 t -59.41 -35.75 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.691 0.281 . . . . 0.0 110.314 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -52.37 -35.24 50.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.421 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.2 m-85 -74.64 -51.57 14.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.65 -25.76 68.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.583 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.48 -23.46 66.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.698 0.285 . . . . 0.0 111.13 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.7 p -96.56 -4.58 41.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.163 0.506 . . . . 0.0 110.027 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.7 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -104.53 -24.28 13.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.677 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.4 ' HG2' ' SG ' ' B' ' 123' ' ' CYS . 30.9 mtp180 -82.16 -177.66 6.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.321 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -55.29 122.97 12.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.239 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.81 22.64 52.57 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.284 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.9 -159.51 32.33 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.646 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 pt -105.38 -42.43 7.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 120.8 0.333 . . . . 0.0 111.283 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -122.25 45.89 2.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -75.33 151.53 38.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.041 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.76 142.26 51.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.601 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -61.38 -36.14 79.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.993 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.83 -24.19 48.75 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.7 HG21 ' HB3' ' B' ' 108' ' ' LEU . 32.1 mm -80.08 -40.85 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 2.4 tm-20 -56.19 -52.18 65.35 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.09 -37.4 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 43.1 t80 -53.51 -54.24 40.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.603 0.24 . . . . 0.0 110.441 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' B' ' 109' ' ' ARG . 28.1 p -66.79 -38.25 86.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.799 -178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 77.9 mm-40 -62.88 -53.2 57.77 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.636 0.255 . . . . 0.0 111.216 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' B' ' 59' ' ' GLU . 74.3 mt -62.96 -41.68 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.662 HD11 ' CD2' ' A' ' 15' ' ' PHE . 1.2 tt -60.96 -61.54 2.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.352 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.02 -25.87 68.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.21 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 35.6 t70 -55.23 -51.25 67.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.423 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.556 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.3 mmtt -76.35 -29.42 57.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.169 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.525 HD22 ' NE2' ' A' ' 11' ' ' GLN . 85.7 mt -64.19 -31.78 73.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.343 176.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -89.9 -18.52 25.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.349 . . . . 0.0 110.748 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -92.0 5.98 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.376 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.15 -12.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.782 0.801 . . . . 0.0 109.628 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -76.46 68.15 2.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.326 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.782 176.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.29 114.28 1.87 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.898 2.398 . . . . 0.0 112.393 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -76.37 90.76 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.412 0.625 . . . . 0.0 110.107 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -93.67 176.25 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.149 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -82.86 133.71 35.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.054 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.18 -162.24 0.79 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -113.45 32.01 6.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.361 0.6 . . . . 0.0 109.494 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -65.25 -37.48 87.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.487 -178.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.796 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 m-80 -59.28 -40.97 87.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 -174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -55.56 -35.28 65.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.918 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 11' ' ' GLN . 6.9 mt-30 -79.6 -41.0 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.135 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 126' ' ' LEU . 8.5 mp -57.15 -42.66 81.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 177.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 77.5 mt -58.39 -51.32 70.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.816 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.1 m-20 -71.82 -26.02 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.043 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' B' ' 126' ' ' LEU . 50.3 t80 -63.57 -52.34 61.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.1 -36.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.377 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 49.4 ttt180 -63.23 -49.36 74.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.796 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 64.9 mt-10 -63.44 -38.76 92.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 110.209 177.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.03 -51.87 54.58 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.723 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.32 -31.53 68.7 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.996 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.75 -30.72 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.948 0.374 . . . . 0.0 111.713 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 18' ' ' GLU . 18.9 m -98.1 -9.39 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 0.0 110.888 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.55 7.98 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.099 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' B' ' 54' ' ' TYR . 87.5 mt -98.75 -18.3 18.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.406 0.622 . . . . 0.0 109.943 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 73' ' ' LEU . 56.6 tp -99.0 -8.33 25.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.375 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.11 144.25 57.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -145.41 175.55 10.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.728 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -146.28 124.98 12.54 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -106.17 130.27 54.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.53 . . . . 0.0 111.935 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -85.82 175.69 8.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.16 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.05 -39.71 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.83 -42.43 81.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.69 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.2 mm-40 -65.59 -30.77 71.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.48 -28.07 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.153 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.39 -34.82 73.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.16 -23.61 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 52.3 mt -94.9 -55.83 2.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.142 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -99.74 -34.1 10.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.656 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.74 1.67 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -168.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.754 174.097 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -129.83 -165.48 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.715 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -69.7 169.52 12.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.383 0.611 . . . . 0.0 110.928 -176.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -115.29 170.45 8.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.295 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.64 174.04 11.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.085 0.469 . . . . 0.0 110.677 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.42 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 18.5 mtpp -92.57 -36.77 12.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.333 -173.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -92.28 125.2 36.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.25 -33.94 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.94 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -80.79 -44.62 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.431 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 31.5 t70 -55.77 -33.2 64.12 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.052 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -56.91 -48.19 78.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.164 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.21 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.924 0.392 . . . . 0.0 110.5 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 42.8 t80 -60.39 -26.74 66.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.003 -177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.1 mm-40 -94.57 -17.01 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.25 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.03 -23.65 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.7 m -108.62 87.35 2.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.446 0.641 . . . . 0.0 110.168 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.79 57.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.657 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' B' ' 125' ' ' ILE . 14.2 pt-20 -72.75 -19.93 61.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 109.853 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -77.27 -30.95 54.59 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -76.03 -36.53 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.564 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.8 pt-20 -62.9 -28.78 70.29 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.652 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 48.3 mt -71.15 -36.05 71.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.308 0.575 . . . . 0.0 109.677 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 25.9 mt -77.7 14.62 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.629 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 50.4 mtpt -105.39 -11.18 16.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.532 . . . . 0.0 109.721 175.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.451 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 97.4 m-85 -89.04 131.27 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.03 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.4 -23.77 63.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.93 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.8 m -73.88 -34.23 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.597 0.713 . . . . 0.0 109.728 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' B' ' 118' ' ' ALA . 90.7 t -68.97 -60.01 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.525 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 36.0 mtpt -55.15 -37.84 67.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.211 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.7 -51.03 70.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.939 0.399 . . . . 0.0 111.388 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -66.32 -34.71 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.204 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.584 ' O ' HG22 ' B' ' 76' ' ' VAL . 81.0 mt -75.65 -33.41 60.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.46 -30.56 70.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.736 0.303 . . . . 0.0 110.759 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.03 -41.2 97.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -76.88 -31.3 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.259 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.4 t80 -56.17 -41.33 75.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.045 0.45 . . . . 0.0 110.386 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 32.6 mtm180 -61.82 -34.76 76.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -67.25 -45.2 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.01 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -63.73 -24.1 67.64 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.977 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' B' ' 82' ' ' SER . 22.8 t -76.54 -50.6 13.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . 0.491 ' HB2' ' O ' ' B' ' 81' ' ' SER . 13.3 t 172.75 138.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.928 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.519 ' HB ' HE22 ' B' ' 97' ' ' GLN . 12.1 t -89.17 -11.81 42.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.447 HG13 HG23 ' B' ' 83' ' ' THR . 15.0 m -131.11 161.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.721 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.11 43.45 1.01 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.227 0.537 . . . . 0.0 110.871 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.42 -72.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.879 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.3 75.32 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.742 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.9 m -65.03 137.0 57.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 17.9 p -87.88 12.17 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.943 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.43 0.92 88.65 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.546 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 64.28 20.96 12.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 122.967 0.507 . . . . 0.0 111.791 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 44.2 mtm -118.3 -11.49 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.845 0.355 . . . . 0.0 110.693 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -63.37 -39.63 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.722 -179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -63.7 -33.28 75.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 18.4 t70 -69.57 -30.47 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.5 OUTLIER -80.67 -31.52 36.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.172 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.3 mm100 -63.48 -24.41 67.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.518 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.4 mptt -51.2 -52.54 43.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.976 173.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -51.84 67.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.986 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.51 -34.59 78.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -66.39 -44.87 81.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.594 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 64.4 t -60.75 -35.36 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.753 0.311 . . . . 0.0 110.465 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.2 -29.61 61.16 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.584 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 5.2 m-85 -81.6 -42.2 20.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 105' ' ' LEU . 3.7 mm? -64.68 -31.46 72.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.487 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.28 -31.68 72.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.984 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 77.2 p -88.61 -6.55 57.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.137 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.582 ' HB3' HG21 ' B' ' 119' ' ' ILE . 74.5 mt -107.2 -18.31 13.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.394 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -79.6 172.66 13.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.18 137.46 57.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.332 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.52 39.62 14.4 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.791 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.74 -151.17 13.54 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.7 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -116.63 -39.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.669 0.271 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -131.75 46.52 2.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' B' ' 108' ' ' LEU . 4.2 p90 -81.13 151.23 28.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.962 -171.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -126.53 140.35 52.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.493 -177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.43 -31.68 71.62 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.953 -170.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -73.89 -27.46 61.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.833 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' B' ' 108' ' ' LEU . 30.5 mm -77.21 -38.22 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tm-20 -59.73 -51.59 69.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.463 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.31 -36.68 83.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -51.79 -53.58 38.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.833 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 65.0 m -59.31 -45.78 90.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.528 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 34.6 mm-40 -62.17 -55.11 31.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.533 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.565 HG21 ' HG3' ' B' ' 59' ' ' GLU . 77.1 mt -62.82 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 12' ' ' LEU . 39.6 tp -70.8 -51.06 29.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.656 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.422 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.1 pp -65.22 -26.87 68.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.23 -54.77 39.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -80.87 -24.11 38.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 38.9 mt -71.12 -25.63 62.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.235 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.403 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 42.4 m-80 -95.96 -20.47 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.85 0.357 . . . . 0.0 111.006 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.05 0.11 52.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 8.1 p -95.61 -25.83 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.203 0.525 . . . . 0.0 109.843 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' B' ' 131' ' ' ASN . 39.4 mtmt -88.58 87.04 7.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.187 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.77 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.15 117.13 4.72 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.578 2.186 . . . . 0.0 112.324 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 56.14 86.39 0.06 Allowed 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptm -109.62 167.67 9.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.44 145.26 50.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.15 107.39 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.969 0.793 . . . . 0.0 111.265 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 7.8 m120 -103.02 8.5 38.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.382 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.605 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.1 pt-20 -52.18 -48.41 65.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.317 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 p30 -57.61 -40.6 79.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.596 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -65.94 -37.32 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 0.0 110.273 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 13.5 mt-30 -71.89 -37.71 70.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.102 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 8' ' ' GLU . 5.7 mp -54.45 -44.22 72.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.668 174.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 56.7 mt -58.54 -50.42 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.149 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -37.79 80.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.4 t80 -63.8 -54.58 32.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.353 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 19' ' ' LEU . 69.1 mt -58.76 -38.89 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.483 0.658 . . . . 0.0 110.519 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -61.21 -46.5 90.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.94 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.43 -29.44 69.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.311 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 82.8 mt -57.73 -49.43 76.57 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 121.09 0.472 . . . . 0.0 109.862 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.43 -23.52 77.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.886 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.02 -44.95 71.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.658 0.266 . . . . 0.0 111.318 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.3 m -91.96 -19.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.152 0.501 . . . . 0.0 110.84 -175.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.69 38.13 3.05 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.543 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HG ' HG23 ' A' ' 22' ' ' VAL . 91.6 mt -96.28 -30.01 13.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.812 0.815 . . . . 0.0 109.235 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' B' ' 73' ' ' LEU . 28.9 tp -86.27 -12.92 48.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.499 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 9.8 pt-20 -60.6 136.45 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.814 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 36.9 p90 -146.12 177.82 8.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.173 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -152.9 110.46 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 82.7 mt -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.721 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -82.74 170.23 15.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.732 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -53.32 -43.13 67.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.665 0.269 . . . . 0.0 111.349 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -69.7 -41.69 75.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.564 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.2 mt-10 -63.84 -28.21 69.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -81.19 -29.58 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 32.4 t70 -70.21 -30.61 67.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.148 -176.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.9 m -83.9 -27.93 7.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.873 0.368 . . . . 0.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.2 mt -91.79 -53.26 4.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -176.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.59 -21.5 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.223 0.535 . . . . 0.0 109.968 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 35' ' ' ASP . . . -72.93 -9.98 76.65 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.674 176.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.001 177.016 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.238 0.542 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.87 -155.26 0.55 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.152 -176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -89.23 -175.48 4.79 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.634 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.436 HG23 ' NE2' ' B' ' 55' ' ' GLN . 3.8 m -135.75 150.95 49.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -175.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.452 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -69.3 167.97 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.982 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -98.18 -37.18 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.591 -173.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -91.47 121.44 33.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.986 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 15.0 tppt? -64.18 -32.63 74.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.427 -176.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.69 70.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -94.07 -36.66 12.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' B' ' 45' ' ' LEU . 22.9 t70 -55.41 -34.89 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.99 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -51.78 -51.01 59.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.869 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.47 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.1 mp -63.73 -43.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.584 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HD22 ' A' ' 24' ' ' LEU . 33.5 t80 -59.48 -37.55 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.436 ' NE2' HG23 ' B' ' 44' ' ' THR . 56.2 mm-40 -86.86 -29.47 22.16 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.031 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.405 HD22 ' N ' ' B' ' 56' ' ' ASN . 1.1 m-80 -89.39 10.17 23.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.896 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -138.11 103.25 4.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.378 0.608 . . . . 0.0 110.785 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -23.68 52.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 26.2 mt-10 -68.1 -44.32 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.817 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.29 -36.0 80.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.486 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -64.41 -41.22 96.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.5 pt-20 -72.7 -22.76 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.832 0.349 . . . . 0.0 111.404 -173.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.442 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -72.29 -31.64 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.791 0.329 . . . . 0.0 110.555 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.497 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 22.4 mt -77.86 16.78 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -104.6 5.69 33.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.098 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.633 ' O ' HG22 ' B' ' 69' ' ' VAL . 73.7 m-85 -110.8 115.38 29.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 79.5 m-20 -59.41 -29.67 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.568 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 54.0 m -59.62 -41.56 90.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.341 0.591 . . . . 0.0 111.218 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.749 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -82.06 -38.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.048 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.497 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 48.0 mtpt -65.98 -33.38 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.343 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.441 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 40.7 t80 -56.04 -47.25 78.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.863 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.526 ' CG ' HD11 ' B' ' 108' ' ' LEU . 53.5 m80 -73.68 -38.68 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.203 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.616 ' O ' HG22 ' B' ' 76' ' ' VAL . 88.2 mt -65.43 -36.56 84.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.14 -23.84 65.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.451 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 45.1 mtpt -71.94 -30.82 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 73' ' ' LEU . 4.9 m -79.59 -29.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.109 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -60.74 -33.03 72.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.077 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 79.5 mtt180 -62.07 -38.4 88.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.052 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -67.26 -50.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.31 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.43 -20.48 66.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.609 0.242 . . . . 0.0 111.214 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.2 m -81.35 -50.49 9.43 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 70.5 p 174.16 112.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.122 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.498 ' HB ' HE22 ' B' ' 97' ' ' GLN . 15.1 t -71.86 -24.99 61.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.579 176.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.426 HG13 HG23 ' B' ' 83' ' ' THR . 13.5 m -130.16 163.41 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.13 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -85.32 29.97 0.64 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.287 -176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -127.85 -77.13 0.57 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 105.32 0.37 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.197 -175.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 93' ' ' ASN . 28.9 m -74.81 117.67 16.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.846 0.355 . . . . 0.0 111.3 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m 66.6 -178.76 0.2 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.35 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.86 -49.55 1.48 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.651 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -88.61 3.18 51.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.232 0.539 . . . . 0.0 111.343 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.417 ' HB3' ' H ' ' B' ' 93' ' ' ASN . 4.4 mpp? -124.91 -166.62 1.55 Allowed 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.407 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 3.6 t30 78.3 -35.41 0.19 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.885 0.874 . . . . 0.0 110.304 -175.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -67.23 -31.79 72.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.73 -24.28 41.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.757 0.789 . . . . 0.0 109.072 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -39.46 67.56 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.462 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.706 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.82 -29.76 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.304 177.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.509 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.5 mptp? -53.54 -54.31 39.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.311 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.04 -50.9 71.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.76 -38.2 84.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.587 0.232 . . . . 0.0 111.344 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.517 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.08 -47.24 80.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.35 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.57 -37.05 76.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.882 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.45 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 10.9 m-80 -61.02 -25.35 66.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.542 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -76.04 -44.15 40.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -60.88 -24.36 65.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 110.737 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . 0.45 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 13.2 m120 -60.68 -25.9 66.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -97.5 -1.8 43.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.117 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.1 mm? -105.04 -15.05 15.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.308 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -91.96 169.06 10.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.287 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -54.03 121.94 9.1 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.439 0.462 . . . . 0.0 111.101 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.05 15.56 28.03 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.526 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.78 -133.43 4.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.32 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.514 HG13 ' H ' ' B' ' 114' ' ' HIS . 5.5 pt -130.38 -54.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.964 0.412 . . . . 0.0 110.738 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.514 ' H ' HG13 ' B' ' 113' ' ' ILE . 28.7 m170 -117.62 46.03 1.82 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.499 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 5.3 p90 -74.98 149.08 39.43 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.561 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' B' ' 119' ' ' ILE . 12.9 m120 -110.51 133.02 53.67 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.295 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.9 OUTLIER -64.32 -25.2 67.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.442 -178.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.749 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -74.77 -36.51 62.56 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.796 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' B' ' 108' ' ' LEU . 38.4 mm -68.16 -37.53 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.702 0.287 . . . . 0.0 110.925 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.7 tp10 -58.41 -51.49 69.59 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -67.4 -34.79 77.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 126' ' ' LEU . 65.2 t80 -52.61 -50.85 62.24 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 67.5 m -58.6 -48.7 80.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.126 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 82.9 mm-40 -63.66 -53.78 46.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.283 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.41 -37.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 110.702 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 130' ' ' LEU . 0.8 OUTLIER -65.67 -62.45 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.732 0.777 . . . . 0.0 110.155 179.076 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.14 -27.35 68.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.102 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 9.9 t70 -54.23 -50.09 67.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.365 0.602 . . . . 0.0 109.938 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.47 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.0 mmtp -78.67 -27.41 45.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.326 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 126' ' ' LEU . 74.4 mt -63.18 -30.6 71.71 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 173.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.446 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 37.4 m-80 -94.83 -15.82 23.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.03 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.69 -4.52 57.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.211 0.529 . . . . 0.0 111.34 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.45 -22.2 4.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.706 0.765 . . . . 0.0 109.681 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' B' ' 131' ' ' ASN . 39.4 mtmt -81.89 104.9 12.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.165 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.06 146.38 70.5 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.703 2.269 . . . . 0.0 112.021 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 4' ' ' MET . 87.2 m-70 -82.7 112.13 19.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.773 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 88.5 mtp 70.98 162.28 0.24 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.91 0.756 . . . . 0.0 110.942 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -71.32 138.08 48.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.35 -178.45 2.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.075 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 27.0 m-80 -100.54 12.83 36.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.635 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -55.14 -52.71 62.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.812 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.0 p30 -58.04 -36.58 72.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -58.83 -48.87 79.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 0.0 110.012 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 20.8 mt-30 -62.81 -42.87 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.297 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 8' ' ' GLU . 3.2 mp -54.81 -41.17 70.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.848 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 89.0 mt -64.8 -48.87 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.239 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -68.02 -27.8 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.32 . . . . 0.0 110.516 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' B' ' 126' ' ' LEU . 57.0 t80 -61.61 -59.43 5.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -53.53 -41.02 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.858 0.837 . . . . 0.0 110.257 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 45.3 ttt180 -58.13 -43.89 87.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.183 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -72.36 -31.72 65.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.816 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD12 HD21 ' B' ' 45' ' ' LEU . 9.9 mp -57.82 -49.29 77.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.615 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.19 70.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.5 -31.31 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.71 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' HG ' ' A' ' 24' ' ' LEU . 7.0 m -111.08 7.1 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.359 -176.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.06 32.34 39.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.221 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 54' ' ' TYR . 95.6 mt -102.29 1.82 36.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.5 . . . . 0.0 110.607 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' B' ' 73' ' ' LEU . 54.5 tp -117.79 -4.89 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.856 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.59 145.55 53.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 111.441 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -148.67 177.45 9.49 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.483 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.46 104.16 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 33' ' ' GLU . 50.3 mt -81.12 137.19 35.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.434 -173.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 p -82.61 174.99 10.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.723 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -56.24 -38.47 71.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.725 0.298 . . . . 0.0 111.21 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.63 -42.69 64.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.9 mt-10 -63.64 -28.31 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.33 -31.68 38.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.344 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.49 -32.78 73.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.342 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.46 -24.69 7.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.017 0.436 . . . . 0.0 111.311 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 71' ' ' PHE . 61.8 mt -94.79 -54.06 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.97 -17.95 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.216 0.531 . . . . 0.0 110.871 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.53 2.18 83.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.354 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.532 179.728 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.053 0.454 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -119.81 -155.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.706 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.645 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -76.1 170.25 16.65 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.357 179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -114.38 163.86 14.74 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 19' ' ' LEU . 51.0 mt -80.47 173.78 12.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.014 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -80.3 -54.34 5.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.408 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -83.39 130.05 35.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.953 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -70.15 -33.19 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.3 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.62 -9.29 48.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -106.06 -43.48 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.573 0.701 . . . . 0.0 109.493 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 24.8 t70 -56.7 -42.85 79.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.069 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.09 -35.93 76.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.462 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.5 mt -70.4 -44.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.697 0.284 . . . . 0.0 110.624 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 24' ' ' LEU . 49.1 t80 -60.71 -25.59 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 32.3 mm-40 -87.28 -27.23 23.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.268 0.556 . . . . 0.0 110.465 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -103.03 31.54 4.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.523 ' HB2' ' CB ' ' B' ' 60' ' ' LEU . 22.8 p -136.26 78.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.172 0.51 . . . . 0.0 111.192 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.73 65.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 9.0 mm-40 -80.24 -30.17 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' ' 122' ' ' PHE . 30.6 tp -83.77 -45.45 13.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.03 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 6.6 tp-100 -58.35 -26.35 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 9.7 pt-20 -73.54 -19.74 60.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.902 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.99 -35.76 25.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.2 mm? -70.29 -4.2 20.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.345 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' GLN . 59.1 mtpt -81.11 -19.55 43.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.037 0.446 . . . . 0.0 110.198 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -89.73 133.84 34.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.643 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -76.11 -22.33 55.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.575 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 37' ' ' LEU . 64.9 m -67.24 -37.96 84.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.88 0.848 . . . . 0.0 109.307 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' B' ' 118' ' ' ALA . 77.3 t -67.13 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.337 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -55.9 -33.05 64.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.096 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 37' ' ' LEU . 46.3 t80 -59.76 -55.16 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.413 ' CG ' HD11 ' B' ' 108' ' ' LEU . 24.0 m80 -68.7 -30.14 68.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 -176.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.642 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.9 mt -71.54 -36.54 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.467 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -67.26 -32.11 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.032 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -63.24 -32.18 73.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.642 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.7 m -82.1 -28.64 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.809 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 18.1 t80 -60.4 -31.43 70.36 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.185 177.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -69.41 -21.08 63.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.871 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 60.1 mt -86.11 -42.89 16.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.335 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -69.65 -14.68 62.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.489 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p -91.79 26.0 2.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.921 0.391 . . . . 0.0 110.305 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 27.5 t 74.26 159.53 0.22 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.026 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 12.2 t -74.99 -12.09 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.247 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -132.42 164.11 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.575 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -86.44 23.63 1.57 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.122 0.487 . . . . 0.0 111.249 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.84 -47.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.484 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.0 -34.68 5.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.032 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 51.0 p 49.24 99.3 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.129 0.972 . . . . 0.0 112.518 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.8 t -114.54 103.22 10.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.433 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.49 -60.4 0.19 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.696 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 92' ' ' MET . 22.5 pttp -106.55 42.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.9 0.381 . . . . 0.0 110.791 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 91' ' ' LYS . 4.1 ptp 59.37 155.9 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.792 1.237 . . . . 0.0 113.215 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.66 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 3.1 t-20 179.89 -51.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.397 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 30.5 p -57.7 -36.42 71.96 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 26.6 t70 -81.8 -24.98 35.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.784 0.326 . . . . 0.0 110.753 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.1 pp -75.06 -30.4 61.0 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.1 mm100 -62.03 -31.83 72.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.975 174.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.589 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.6 mptt -53.53 -47.48 69.92 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.476 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.02 -50.11 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.642 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -68.66 -43.63 75.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.495 176.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 98' ' ' LYS . 99.5 t -59.7 -38.21 74.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.31 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.431 ' O ' HD23 ' B' ' 108' ' ' LEU . 3.7 m-85 -74.63 -49.84 19.99 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.606 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' B' ' 108' ' ' LEU . 3.3 mm? -62.78 -25.27 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.58 -14.31 62.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.288 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.4 p -103.88 -3.44 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.118 0.485 . . . . 0.0 109.887 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.67 ' HB3' HG21 ' B' ' 119' ' ' ILE . 3.9 mm? -101.98 -17.08 16.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.957 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -72.06 160.86 31.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.481 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -53.66 113.79 1.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.332 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 106.11 22.6 7.82 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.466 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.74 -155.98 30.01 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.082 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.93 -44.5 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -119.47 34.96 5.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.3 p90 -73.82 151.2 40.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.942 -172.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.513 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -119.31 137.6 53.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.27 -177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.78 -27.73 66.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.582 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -81.95 -32.24 30.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.268 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' B' ' 108' ' ' LEU . 28.1 mm -70.62 -37.7 70.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 110.698 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 18.7 tp10 -60.68 -45.89 92.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.135 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.529 ' CD1' HD11 ' B' ' 60' ' ' LEU . 78.4 t80 -50.48 -56.7 10.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.25 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.2 -37.81 88.81 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.966 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 79.4 mm-40 -65.84 -53.6 37.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.04 -37.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.337 0.589 . . . . 0.0 110.548 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -67.11 -63.34 1.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.848 -178.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.464 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.4 pp -61.69 -27.23 68.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.836 -172.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.1 t70 -53.25 -46.95 69.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.286 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' B' ' 53' ' ' ILE . 55.0 mmtt -84.23 -22.54 30.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.831 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.485 ' CD1' HD22 ' B' ' 126' ' ' LEU . 92.0 mt -71.33 -30.58 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.311 0.577 . . . . 0.0 110.358 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.502 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 12.2 m-80 -77.66 -24.8 49.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.217 0.532 . . . . 0.0 110.135 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.06 13.27 17.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.19 -0.913 . . . . 0.0 112.323 -175.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.3 p -113.47 -32.06 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.253 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' B' ' 131' ' ' ASN . 18.6 pttp -73.68 123.98 25.1 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 11.6 mptt . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.587 -0.72 . . . . 0.0 110.44 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.26 116.05 4.51 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.106 2.537 . . . . 0.0 112.125 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -79.17 99.06 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.59 30.61 0.71 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.168 0.508 . . . . 0.0 111.723 -172.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -137.7 144.81 41.94 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.495 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.87 33.77 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.86 -1.08 57.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 -173.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 12' ' ' LEU . 9.4 pt-20 -55.22 -42.82 73.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.542 172.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.829 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 37.9 m-80 -58.33 -39.41 79.39 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.429 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -54.16 -42.61 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.399 0.437 . . . . 0.0 110.807 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 11' ' ' GLN . 7.1 mt-30 -74.83 -39.87 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.7 mp -56.44 -42.1 77.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.997 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.829 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 62.2 mt -57.66 -53.78 54.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.248 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 4.8 m-20 -65.41 -34.99 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -59.61 -57.96 10.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.434 ' CG2' HD11 ' A' ' 25' ' ' LEU . 76.2 mt -58.9 -36.56 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.514 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 31.6 ttt180 -61.03 -42.64 98.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.02 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 60.2 mt-10 -62.0 -36.97 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.23 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.8 mp -55.0 -51.46 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.96 -25.5 73.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.237 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.42 -36.73 74.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.201 0.5 . . . . 0.0 111.104 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.1 m -95.5 -18.73 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.157 0.503 . . . . 0.0 110.723 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.89 5.61 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.201 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 22' ' ' VAL . 99.2 mt -88.45 -11.89 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.184 0.516 . . . . 0.0 110.049 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' B' ' 74' ' ' ALA . 6.9 mt -99.04 -10.97 21.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.814 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.42 121.45 7.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.871 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 53.7 p90 -130.88 170.95 13.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.216 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -150.2 117.17 5.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.0 mt -99.2 133.43 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.124 0.488 . . . . 0.0 111.46 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -93.38 171.72 8.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.267 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -54.62 -40.72 69.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.867 0.365 . . . . 0.0 111.455 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.35 -38.58 74.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.149 0.499 . . . . 0.0 110.388 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 12.3 mm-40 -71.03 -25.03 62.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.79 -31.95 31.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.67 -33.73 75.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.137 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.12 -21.53 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.223 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 53.5 mt -94.81 -55.02 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.2 0.524 . . . . 0.0 110.956 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -79.89 -19.4 48.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.718 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.01 -1.74 90.65 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.051 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.358 -179.622 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.406 ' HG3' ' OD1' ' B' ' 42' ' ' ASN . 21.8 ptp . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 111.506 0.188 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.406 ' OD1' ' HG3' ' B' ' 41' ' ' MET . 19.8 m120 -137.51 -165.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.205 0.526 . . . . 0.0 111.355 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.517 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -98.23 170.38 8.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.786 -175.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.409 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -108.68 170.22 8.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.673 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 44.8 mt -82.83 176.61 9.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.146 0.498 . . . . 0.0 111.625 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.06 -52.2 5.57 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.431 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -80.92 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.542 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -66.01 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -175.532 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.61 84.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -73.11 -47.56 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.111 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -55.97 -36.66 68.08 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.41 -49.25 72.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.157 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.93 -41.14 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -59.55 -33.36 71.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 74.9 mm-40 -85.69 -23.56 27.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -103.68 22.22 14.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.195 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -147.27 102.21 3.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.922 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -24.95 53.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.445 ' HG3' HG21 ' B' ' 125' ' ' ILE . 7.9 pt-20 -79.48 -20.16 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.374 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.48 -33.44 28.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -69.9 -41.77 74.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.07 -25.95 68.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.756 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 118' ' ' ALA . 52.4 mt -67.04 -28.77 68.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.69 -4.63 52.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.444 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -84.2 -12.82 54.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.0 110.077 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -89.37 126.95 35.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.832 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.25 -26.07 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 37' ' ' LEU . 61.2 m -76.63 -35.69 57.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.703 0.764 . . . . 0.0 110.304 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 59.3 t -77.4 -53.91 13.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.484 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.555 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 35.4 ttpt -59.84 -32.59 70.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.581 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 62.9 t80 -59.96 -54.52 45.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 175.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -66.89 -29.21 69.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.886 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 76' ' ' VAL . 90.1 mt -71.78 -45.05 62.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.79 0.329 . . . . 0.0 110.661 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.654 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -66.35 -18.91 65.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.647 0.261 . . . . 0.0 111.482 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.7 mmmt -63.19 -37.53 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.474 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.6 m -79.98 -27.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.1 t80 -56.73 -40.87 76.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.003 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -61.29 -28.11 68.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.648 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -75.66 -41.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.994 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.544 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -71.94 -13.98 61.79 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.761 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.6 t -94.57 22.19 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.775 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t 71.97 133.83 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.541 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.6 t -64.3 -18.21 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.429 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 14.2 m -131.83 148.48 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.094 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.414 HD22 ' N ' ' B' ' 85' ' ' ASN . 0.1 OUTLIER -73.08 9.9 1.09 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.093 0.473 . . . . 0.0 111.691 -177.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.58 -41.64 62.62 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.764 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.98 64.93 3.9 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.5 m -58.51 107.66 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.449 0.642 . . . . 0.0 110.731 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.0 m -104.58 133.38 49.54 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.576 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.39 2.18 63.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.251 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' B' ' 91' ' ' LYS . 0.0 OUTLIER -143.55 53.56 1.33 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.122 0.487 . . . . 0.0 110.463 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.512 ' CG ' ' HB3' ' B' ' 95' ' ' ASP . 50.4 ttm 58.65 -102.13 0.14 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.479 176.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.516 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 3.0 t-20 66.57 -62.38 0.28 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.27 0.628 . . . . 0.0 112.281 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -57.42 -36.18 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.719 0.295 . . . . 0.0 111.001 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.512 ' HB3' ' CG ' ' B' ' 92' ' ' MET . 12.2 t70 -63.3 -39.1 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.84 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -71.81 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.1 mm100 -62.53 -34.03 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.525 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.532 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.2 mptt -58.16 -44.73 88.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.506 176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.24 -49.3 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.349 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.54 -34.94 76.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.83 -46.23 79.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.429 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 98' ' ' LYS . 85.6 t -59.97 -37.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.496 177.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -53.48 -39.94 64.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.201 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.535 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 2.7 m-85 -66.93 -48.75 67.64 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.78 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.585 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.1 mm? -61.84 -34.89 76.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.898 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -64.42 -31.38 72.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.674 0.273 . . . . 0.0 111.314 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -83.65 -8.99 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.636 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 81.6 mt -105.22 1.3 28.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.661 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 16.1 mmt180 -77.35 173.75 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -58.39 124.02 18.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.01 29.09 23.99 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.495 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.69 -153.09 28.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.081 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 pt -115.62 -48.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.567 0.222 . . . . 0.0 111.394 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.61 39.7 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.05 150.95 33.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.051 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.58 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.4 m120 -117.69 136.44 53.34 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.706 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 10.8 pt-20 -57.05 -28.34 62.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.061 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -82.45 -22.56 35.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.496 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.58 HG12 ' HB2' ' B' ' 116' ' ' ASN . 22.9 mm -71.78 -41.57 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 9.5 tp10 -63.63 -44.32 94.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 78.2 mm-40 -59.36 -43.41 92.83 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.359 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -53.42 -53.79 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.011 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.04 -47.82 83.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.926 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 84.0 mm-40 -64.44 -50.48 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.895 -175.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' B' ' 59' ' ' GLU . 86.5 mt -62.51 -42.44 95.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.201 0.524 . . . . 0.0 110.553 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.431 HD23 ' HG ' ' A' ' 12' ' ' LEU . 52.9 tp -69.18 -51.56 36.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.707 -177.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.92 -27.61 68.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 110.05 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.68 -44.86 96.01 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -82.33 -28.27 31.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.65 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.29 -38.54 87.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.387 . . . . 0.0 110.573 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -82.2 -14.41 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.699 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.31 -0.69 56.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.705 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.83 -30.02 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.985 0.422 . . . . 0.0 110.869 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -86.77 85.97 7.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.574 0.702 . . . . 0.0 111.449 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.81 177.506 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.67 140.31 46.64 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.786 2.324 . . . . 0.0 111.913 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -73.16 100.97 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 45.4 mtm -89.49 135.28 33.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.181 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -78.26 126.15 30.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.34 165.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.396 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -116.51 0.18 12.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -58.83 -49.23 78.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 177.073 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.791 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 4.9 p30 -53.82 -41.47 67.4 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.393 0.433 . . . . 0.0 111.305 175.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -57.9 -39.6 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.786 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' NE2' ' HB3' ' B' ' 130' ' ' LEU . 6.8 mt-30 -80.91 -35.71 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.533 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 92.9 mt -57.97 -45.3 86.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.089 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -60.69 -52.06 66.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.474 -173.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.95 -23.29 63.16 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.178 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' B' ' 126' ' ' LEU . 49.2 t80 -67.02 -49.57 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.65 -34.52 62.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.746 0.784 . . . . 0.0 109.782 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.6 ttt180 -63.54 -47.76 80.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.55 -37.31 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.57 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 25' ' ' LEU . 4.7 tp -51.65 -56.59 12.78 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.091 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.61 -15.75 79.22 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.99 -37.89 66.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.058 0.429 . . . . 0.0 110.978 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 24' ' ' LEU . 15.6 m -98.71 -16.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 -178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 37.07 3.99 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.81 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' B' ' 54' ' ' TYR . 94.8 mt -99.24 -4.48 31.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.551 0.691 . . . . 0.0 109.447 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' B' ' 73' ' ' LEU . 40.7 tp -115.49 -2.43 12.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.664 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.03 138.81 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.858 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.18 173.55 11.84 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.925 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.93 128.35 9.95 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.74 128.22 54.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -83.42 171.42 13.48 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.22 -39.65 72.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.222 0.465 . . . . 0.0 110.983 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.72 -41.55 78.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.45 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.85 -32.8 34.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.251 176.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 22.0 t70 -64.35 -31.68 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.298 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -82.0 -21.15 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.817 0.341 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' B' ' 71' ' ' PHE . 67.0 mt -94.49 -55.02 3.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.456 . . . . 0.0 111.12 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -83.2 -26.66 30.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.555 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 64.73 17.11 62.26 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.051 -0.977 . . . . 0.0 113.499 178.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.851 -0.595 . . . . 0.0 109.595 -177.436 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.404 ' N ' ' SD ' ' B' ' 41' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -100.12 -161.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.259 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.657 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -85.2 -179.12 6.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.777 -178.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.463 HG22 ' NE2' ' B' ' 55' ' ' GLN . 0.9 OUTLIER -136.55 163.03 31.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.44 177.532 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 56.7 mt -79.86 171.93 14.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.252 0.548 . . . . 0.0 110.609 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.92 -29.05 13.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.351 -173.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -96.01 125.36 40.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.815 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.935 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -7.3 43.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.54 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.51 -40.95 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.112 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -60.18 -37.64 80.83 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.309 -176.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -37.61 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.26 -40.25 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.948 0.404 . . . . 0.0 110.326 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 24' ' ' LEU . 56.7 t80 -62.4 -27.28 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 57.9 mm-40 -93.33 -33.88 13.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.643 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.2 -32.55 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.907 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -102.25 89.47 3.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.613 0.72 . . . . 0.0 110.367 -175.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.6 59.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.57 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.551 ' HG3' HG21 ' B' ' 125' ' ' ILE . 10.9 pt-20 -77.91 -18.87 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.52 0.676 . . . . 0.0 109.562 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.61 -33.18 36.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.655 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -72.64 -38.3 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.029 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 12.8 pt-20 -59.17 -30.26 68.05 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -71.73 -38.09 70.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.118 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.33 13.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.616 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.4 -7.11 26.62 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.097 0.475 . . . . 0.0 109.738 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.411 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 92.0 m-85 -96.14 126.29 41.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -69.39 -21.74 63.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.473 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -67.49 -47.29 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 109.091 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.484 HG13 HD13 ' B' ' 119' ' ' ILE . 97.2 t -60.16 -59.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.739 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -56.75 -33.85 66.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.08 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 37' ' ' LEU . 34.3 t80 -62.64 -51.43 67.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 111.096 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -65.97 -36.31 82.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.623 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.4 mt -70.43 -37.66 74.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.36 -29.32 69.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -63.94 -32.17 73.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.623 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -80.95 -32.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.7 t80 -58.6 -40.3 82.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.651 178.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 78' ' ' ARG . 20.5 mtm180 -61.42 -31.63 71.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.332 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -70.18 -49.11 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.416 HD22 ' O ' ' B' ' 76' ' ' VAL . 1.5 mm? -57.25 -26.6 61.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.671 0.272 . . . . 0.0 111.552 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p -89.73 -50.14 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' B' ' 84' ' ' VAL . 34.8 m -162.16 122.09 2.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.638 ' HB ' HE22 ' B' ' 97' ' ' GLN . 8.2 t -83.22 -28.42 29.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' B' ' 82' ' ' SER . 16.0 m -118.97 -175.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.023 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -77.2 11.45 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -172.95 -90.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.135 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.55 28.24 30.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.81 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -91.85 118.44 30.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.3 m -153.56 18.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.798 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.91 31.27 79.09 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.887 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -125.91 33.71 5.02 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 120.626 0.251 . . . . 0.0 110.406 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.45 ' SD ' ' HB2' ' B' ' 95' ' ' ASP . 30.9 ttm 70.42 -42.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 124.15 0.906 . . . . 0.0 112.635 176.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 4.3 t-20 72.29 -62.9 0.45 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.851 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 19.9 t -58.42 -30.38 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.134 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.45 ' HB2' ' SD ' ' B' ' 92' ' ' MET . 19.5 t70 -62.94 -40.87 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.162 0.506 . . . . 0.0 110.65 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -25.53 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.684 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -70.2 -24.42 63.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.609 ' O ' HG23 ' B' ' 102' ' ' VAL . 0.5 OUTLIER -57.81 -45.74 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.592 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -53.67 -59.33 4.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.112 0.482 . . . . 0.0 110.572 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.57 -32.99 73.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.069 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.479 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.02 -46.7 80.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.604 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.4 t -61.76 -34.22 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -57.97 -26.13 61.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.144 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -84.2 -39.99 18.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.576 0.226 . . . . 0.0 110.473 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 109' ' ' ARG . 3.9 mm? -65.42 -31.75 73.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.388 177.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -32.64 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.6 p -86.08 -1.59 57.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.72 0.295 . . . . 0.0 110.825 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' B' ' 119' ' ' ILE . 81.1 mt -113.63 0.44 14.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.459 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' B' ' 105' ' ' LEU . 21.4 mmm-85 -91.39 162.95 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.53 123.18 7.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.765 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.46 57.23 1.67 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.684 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.06 -168.85 11.39 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.57 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.53 -44.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -130.38 38.92 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -75.93 137.5 40.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.442 0.639 . . . . 0.0 111.066 -173.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.462 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.7 m120 -114.95 142.69 46.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.19 -0.913 . . . . 0.0 108.9 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.5 -27.8 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.777 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -71.53 -27.49 63.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.777 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' B' ' 108' ' ' LEU . 27.0 mm -75.79 -39.83 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 109.842 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.74 -43.72 79.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.968 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.43 -44.6 80.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.907 172.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 79.1 t80 -52.79 -56.76 13.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.235 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.8 m -55.95 -49.72 72.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -65.41 -56.31 13.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.733 -174.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 59' ' ' GLU . 84.6 mt -59.1 -41.17 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 110.814 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 15' ' ' PHE . 38.1 tp -70.56 -51.56 27.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.327 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.0 pp -65.64 -27.39 68.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.98 -48.46 78.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.099 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -80.09 -32.22 39.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.455 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.528 ' HB3' ' NE2' ' A' ' 11' ' ' GLN . 67.8 mt -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.24 -6.83 52.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.15 -8.98 58.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 111.12 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.28 -24.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.457 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 14.7 mmmm -61.06 130.6 47.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.733 178.736 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.79 129.93 3.6 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.652 2.235 . . . . 0.0 112.776 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 59.03 93.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.442 0.639 . . . . 0.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.5 ptm -89.27 147.56 24.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -80.61 136.86 36.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.94 -179.23 3.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.62 16.38 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' O ' HD13 ' A' ' 12' ' ' LEU . 8.6 pt-20 -60.21 -43.1 96.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.786 174.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 22.2 m-80 -60.51 -39.41 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.252 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.88 -43.69 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' HB3' HE21 ' A' ' 11' ' ' GLN . 7.5 mt-30 -70.84 -39.98 72.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.207 0.527 . . . . 0.0 109.97 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.8 mp -58.68 -42.85 89.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.101 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 81.1 mt -59.01 -52.17 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.815 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.17 -28.75 66.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.233 0.539 . . . . 0.0 110.256 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 51.8 t80 -62.86 -52.78 61.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.034 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.5 -33.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.049 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 30.0 ttt180 -60.58 -49.98 75.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.752 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.1 mt-10 -70.17 -36.47 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 110.439 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.3 tp -51.86 -52.92 46.1 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.145 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -76.0 -19.91 78.21 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.914 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.18 -34.6 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' GLU . 30.9 m -92.68 -19.07 6.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.22 27.64 6.82 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.662 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD21 ' H ' ' B' ' 43' ' ' LYS . 82.1 mt -98.65 -13.7 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.529 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -97.78 -22.75 16.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.11 150.94 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.822 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -148.99 177.12 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.069 0.461 . . . . 0.0 111.501 -168.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.86 132.01 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' B' ' 71' ' ' PHE . 93.3 mt -116.82 132.54 56.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.983 0.42 . . . . 0.0 111.604 -176.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -81.25 169.43 17.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 174.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -53.51 -44.33 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -63.77 -44.01 94.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.628 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 45.7 mt-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -76.84 -28.86 55.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.127 0.489 . . . . 0.0 110.414 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.07 -32.17 66.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.66 -25.13 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.794 0.331 . . . . 0.0 111.576 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 62.7 mt -94.2 -51.43 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.65 0.262 . . . . 0.0 111.562 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -80.58 -34.22 35.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 0.0 109.635 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.52 -13.68 66.74 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.615 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.248 1.008 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.695 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.675 0.274 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -102.41 -165.5 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.563 ' H ' HD21 ' A' ' 24' ' ' LEU . 32.4 mmtt -76.87 -175.28 3.41 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.518 0.675 . . . . 0.0 110.793 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.07 163.57 33.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.973 174.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.7 mt -77.64 170.03 17.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.021 0.439 . . . . 0.0 110.48 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -98.43 -31.34 12.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.264 -172.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -95.69 124.54 39.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.009 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.2 -32.69 73.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.28 62.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.98 -40.37 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.74 -35.56 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.193 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -54.92 -46.94 74.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.6 mp -67.26 -40.26 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.239 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.535 ' CE2' HD13 ' A' ' 24' ' ' LEU . 59.3 t80 -58.81 -38.51 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.409 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.06 -31.26 39.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.322 0.582 . . . . 0.0 110.979 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.31 29.78 3.44 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.549 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -147.31 82.94 1.55 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.214 0.53 . . . . 0.0 110.82 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.76 -27.52 65.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.464 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.3 pt-20 -70.06 -23.63 63.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.316 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.55 -45.51 12.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.573 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.676 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -59.04 -28.43 66.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.901 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.25 -23.34 60.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.404 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.436 HD11 HD12 ' B' ' 125' ' ' ILE . 78.6 mt -77.32 -27.27 52.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 109.65 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.73 5.61 17.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.768 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -91.32 -12.55 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.115 0.483 . . . . 0.0 109.733 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -87.29 124.81 33.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.606 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -73.36 -21.89 60.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.876 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 40.5 m -69.17 -46.3 67.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.646 0.736 . . . . 0.0 109.052 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.514 HG13 HD13 ' B' ' 119' ' ' ILE . 97.5 t -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.101 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -54.98 -34.61 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.794 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 29' ' ' LEU . 56.3 t80 -60.76 -50.44 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -69.38 -37.29 77.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.867 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.658 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.7 mt -67.46 -34.5 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.731 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.91 -30.54 71.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.857 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.417 ' O ' HG13 ' B' ' 79' ' ' ILE . 50.0 mtpt -66.43 -27.47 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.713 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.6 m -83.2 -33.94 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 10.6 t80 -59.99 -41.23 91.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.108 0.48 . . . . 0.0 109.935 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 96.9 mtt180 -57.89 -36.9 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.288 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 79.1 mt -64.06 -54.82 26.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.104 178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.52 -30.21 62.78 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.776 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t -76.38 -51.67 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -175.13 116.07 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.919 0.487 . . . . 0.0 110.743 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.435 ' HB ' HE22 ' B' ' 97' ' ' GLN . 6.4 t -92.85 -25.1 18.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.13 158.35 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.27 176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -95.46 29.88 2.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.185 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.47 -61.63 1.75 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.077 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.68 62.68 2.78 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.214 -0.993 . . . . 0.0 111.383 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -59.22 116.79 4.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.936 0.398 . . . . 0.0 110.432 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -102.72 -8.5 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.537 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.24 -27.86 10.41 Favored Glycine 0 C--N 1.316 -0.558 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -130.6 100.62 5.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 5.2 ptp -34.62 118.76 0.42 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.284 0.99 . . . . 0.0 112.78 -174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 0.2 OUTLIER -75.23 -27.58 59.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.953 -171.075 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 42.5 t -60.63 -44.66 96.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.29 -35.14 79.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.795 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.2 pp -77.04 -28.72 54.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.313 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 11.7 mm100 -61.01 -34.27 74.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.986 176.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.484 ' O ' HG23 ' B' ' 102' ' ' VAL . 14.2 mptt -62.22 -36.38 81.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.747 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -59.89 -57.59 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 109.784 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.38 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.937 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.538 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.13 -52.31 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 98' ' ' LYS . 75.2 t -61.28 -32.27 52.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.978 0.418 . . . . 0.0 110.783 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.1 -30.63 66.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.0 -42.18 27.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.804 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -61.6 -34.71 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.816 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . 0.43 ' ND2' HG12 ' B' ' 102' ' ' VAL . 19.4 m-80 -61.37 -32.57 72.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.407 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -81.87 -6.25 58.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.632 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 89.6 mt -110.0 -2.82 16.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.801 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 58.7 mtp180 -109.79 -174.13 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.509 ' CE2' ' HG2' ' B' ' 120' ' ' GLU . 21.2 m-85 -51.76 116.72 2.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.76 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.28 32.57 7.71 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.655 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.78 -160.02 24.72 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.03 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 pt -115.45 -38.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 -176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -124.93 40.73 3.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.632 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.6 OUTLIER -81.88 141.05 33.74 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.063 -170.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.501 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.3 m120 -116.84 147.77 41.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.344 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.12 -28.88 70.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.768 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.34 56.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' B' ' 108' ' ' LEU . 23.6 mm -69.58 -43.05 80.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.509 ' HG2' ' CE2' ' B' ' 110' ' ' TYR . 17.2 tp10 -63.64 -46.58 85.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.775 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -62.29 -37.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.538 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -52.15 64.77 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 60.7 m -59.05 -49.35 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.456 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 85.2 mm-40 -62.36 -52.89 61.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.551 -175.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' B' ' 59' ' ' GLU . 92.7 mt -65.11 -41.59 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.921 0.391 . . . . 0.0 111.328 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.4 tp -66.77 -51.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' B' ' 130' ' ' LEU . 2.0 pp -66.84 -26.62 67.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 25.4 t70 -54.54 -50.18 68.51 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.326 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.529 ' HB2' HG12 ' B' ' 53' ' ' ILE . 47.3 mmtt -79.29 -34.67 42.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.096 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' B' ' 127' ' ' LEU . 72.2 mt -64.51 -25.8 68.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -100.19 -11.38 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.765 0.317 . . . . 0.0 110.99 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.63 -5.26 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.33 0.586 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.67 -20.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.627 0.727 . . . . 0.0 109.997 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.8 71.52 7.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.113 -176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.777 177.014 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.87 15.02 1.18 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.872 2.381 . . . . 0.0 113.167 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 62.24 -172.72 0.15 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptm -141.17 -173.75 3.82 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.365 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.12 140.13 32.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.931 0.396 . . . . 0.0 109.941 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.4 169.66 9.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.852 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -75.54 2.16 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.653 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.19 -37.69 67.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.753 170.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.718 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.4 m-80 -60.94 -29.72 69.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.984 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -65.72 -28.27 68.93 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.777 0.322 . . . . 0.0 110.14 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.53 -35.44 58.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.812 HD13 HD12 ' B' ' 126' ' ' LEU . 4.5 mm? -56.65 -48.66 77.09 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 27.9 mt -59.03 -54.81 42.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.385 -174.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 20.0 m-20 -66.42 -30.4 70.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.096 -177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' O ' HD13 ' A' ' 19' ' ' LEU . 77.9 t80 -63.65 -57.58 9.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 110.011 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.23 -35.69 59.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.506 0.669 . . . . 0.0 110.223 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.5 ttt180 -58.96 -43.71 91.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.924 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.5 mt-10 -71.84 -34.5 69.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.181 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 8.6 mp -54.38 -53.71 50.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -67.09 -33.61 83.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.928 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.37 -35.95 82.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.763 0.316 . . . . 0.0 111.504 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 18' ' ' GLU . 31.3 m -96.46 -5.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.085 0.469 . . . . 0.0 110.551 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 26' ' ' GLU . . . 88.63 31.17 13.54 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.536 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' B' ' 54' ' ' TYR . 81.4 mt -100.48 0.33 39.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.29 0.566 . . . . 0.0 110.356 176.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 38.3 tp -113.89 -10.29 12.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.238 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 47.5 mt-10 -61.31 131.15 49.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.148 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.52 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -152.14 103.04 2.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -85.17 145.02 27.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.217 0.532 . . . . 0.0 111.782 -172.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -84.58 169.27 14.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.163 171.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.25 -39.62 79.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.059 0.39 . . . . 0.0 111.114 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.83 -40.82 92.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.3 mt-10 -67.39 -27.25 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.404 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -81.1 -32.54 33.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.141 0.496 . . . . 0.0 110.249 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.16 -35.32 80.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.14 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.95 -22.84 12.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 55.2 mt -94.89 -54.45 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.928 0.394 . . . . 0.0 111.184 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.12 -29.54 60.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.285 0.564 . . . . 0.0 109.913 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.99 -25.16 32.61 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.244 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.48 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.436 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 19.7 m120 -130.89 159.85 36.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.041 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' B' ' 43' ' ' LYS . 2.8 mppt? -68.66 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.247 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -108.82 174.59 5.8 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.649 174.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 37.7 mt -84.61 175.43 9.25 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.524 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -85.23 -48.6 8.95 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.347 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 24.6 m -85.48 125.77 33.31 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.65 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.85 -32.12 72.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.586 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -22.58 66.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.686 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.1 -46.44 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.106 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 34.8 t70 -53.48 -39.09 64.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.348 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -48.25 -53.34 17.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.424 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.526 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.3 mp -67.99 -40.96 84.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.442 ' CE2' HD13 ' A' ' 24' ' ' LEU . 85.9 t80 -60.73 -36.44 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.892 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.9 mm-40 -83.26 -20.47 34.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 0.0 110.336 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -113.7 31.88 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.2 m -139.74 85.64 2.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.174 0.511 . . . . 0.0 110.906 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.73 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.646 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.402 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.5 pm0 -80.89 -23.05 39.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 tp -84.48 -47.85 10.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.28 -28.89 60.23 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.164 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.37 -20.43 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.86 -37.47 55.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.213 0.53 . . . . 0.0 109.633 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -68.77 -13.97 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.147 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.17 -15.1 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.654 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.455 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.2 m-85 -92.93 131.46 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -74.81 -16.43 60.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -68.18 -33.22 74.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.94 0.876 . . . . 0.0 109.305 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' B' ' 66' ' ' TYR . 97.4 t -74.31 -55.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.163 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -47.78 -46.92 30.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.878 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.473 ' CD2' HD13 ' A' ' 37' ' ' LEU . 60.8 t80 -55.44 -51.66 66.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.551 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -70.65 -32.89 70.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.398 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.7 mt -73.54 -35.83 65.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.008 0.432 . . . . 0.0 110.59 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.88 -33.5 75.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.857 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.5 mtpt -62.68 -32.12 73.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.1 m -81.34 -32.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.4 t80 -62.05 -40.43 95.74 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 41.3 mtm180 -59.72 -25.7 65.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.227 0.537 . . . . 0.0 110.805 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 72.9 mt -71.5 -53.83 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.049 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.4 -26.24 66.53 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 p -86.73 -21.68 26.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.368 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.0 p -175.29 111.28 0.12 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.622 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.645 ' HB ' ' NE2' ' B' ' 97' ' ' GLN . 3.6 t -80.64 -47.26 14.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.321 . . . . 0.0 110.373 176.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.417 HG22 HG23 ' B' ' 83' ' ' THR . 29.6 m -138.0 155.12 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.424 HD22 ' C ' ' B' ' 85' ' ' ASN . 0.3 OUTLIER -81.69 35.6 0.42 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.136 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.22 -27.49 6.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.658 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.22 6.72 56.63 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.66 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 65.8 m 65.62 125.5 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.716 0.769 . . . . 0.0 112.461 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 18.7 t -92.5 157.89 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.278 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.15 9.85 59.0 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.916 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 66.29 7.63 5.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.356 0.662 . . . . 0.0 111.811 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 20.1 ptm -110.77 154.69 23.58 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.6 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.469 ' HA ' HD23 ' B' ' 96' ' ' LEU . 2.6 t-20 -159.61 -67.65 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.236 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 59.4 m -59.22 -31.46 69.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -170.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.76 -31.6 65.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.179 0.514 . . . . 0.0 110.2 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.3 OUTLIER -78.83 -30.74 45.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.223 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.645 ' NE2' ' HB ' ' B' ' 83' ' ' THR . 0.1 OUTLIER -61.7 -39.28 90.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.512 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.8 mptp? -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.761 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.88 -57.62 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.95 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.451 HD23 HD12 ' B' ' 96' ' ' LEU . 4.1 mm? -59.34 -40.57 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.147 -176.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.02 -46.2 88.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 94.6 t -62.19 -35.06 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.687 0.28 . . . . 0.0 110.827 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -56.15 -30.43 62.17 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.538 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.446 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.2 m-85 -74.6 -47.02 34.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.64 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.28 -29.39 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.34 -32.44 73.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 73.2 p -83.35 -9.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.748 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.475 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 80.5 mt -102.62 0.47 33.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -85.77 165.9 16.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.895 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -54.66 112.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.558 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.16 25.19 7.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.989 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.89 -152.99 25.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.964 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.2 pt -107.99 -49.3 7.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.759 0.314 . . . . 0.0 111.462 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -121.57 46.22 2.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.475 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 0.4 OUTLIER -82.18 142.75 31.92 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.913 -171.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.529 ' HB2' HG12 ' B' ' 119' ' ' ILE . 8.1 m120 -118.06 135.05 54.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.582 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 0.3 OUTLIER -57.65 -30.74 65.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.344 178.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' B' ' 122' ' ' PHE . . . -70.25 -27.19 64.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 116' ' ' ASN . 32.2 mm -79.86 -41.84 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 109.935 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 11.3 tp10 -59.87 -51.0 71.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 44.1 mm-40 -65.21 -35.87 82.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.407 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' B' ' 118' ' ' ALA . 57.8 t80 -54.46 -52.62 61.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.09 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . 0.735 ' HA ' HD11 ' A' ' 12' ' ' LEU . 65.2 m -56.81 -45.6 82.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.765 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 65.6 mm-40 -67.87 -53.75 24.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.59 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.402 HG21 ' HG2' ' B' ' 59' ' ' GLU . 77.1 mt -58.19 -39.58 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.299 0.571 . . . . 0.0 110.841 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tm? -75.79 -59.98 2.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.704 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 12' ' ' LEU . 1.7 pp -59.11 -30.59 68.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 -175.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.5 t70 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.36 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.484 ' HB2' HG12 ' B' ' 53' ' ' ILE . 59.8 mmtt -81.83 -29.82 32.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' B' ' 126' ' ' LEU . 30.2 mt -71.15 -23.9 62.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.259 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -94.19 -10.11 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.675 174.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.72 -13.81 44.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.098 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -90.57 -22.67 6.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.609 0.719 . . . . 0.0 109.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -73.66 117.13 15.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.65 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 173.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.36 106.2 0.99 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.943 2.429 . . . . 0.0 112.079 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 63.08 90.73 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.239 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ptm -152.87 177.78 10.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.762 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -70.61 148.99 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 0.0 109.968 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.48 158.69 19.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.947 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 8.2 m-80 -90.62 9.82 28.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.455 -173.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.675 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.2 pt-20 -54.4 -43.71 71.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.13 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.726 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.4 p30 -65.41 -37.34 86.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.024 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -62.6 -37.13 85.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.215 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 20.9 mt-30 -64.99 -44.09 90.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.353 174.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 60.2 mt -55.86 -43.55 77.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.849 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 83.3 mt -62.26 -50.68 70.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.261 -173.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 18.9 m-20 -68.2 -24.58 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 110.831 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.0 t80 -67.06 -56.17 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.696 175.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' LEU . 65.5 mt -54.38 -40.17 47.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.704 0.764 . . . . 0.0 110.212 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 63.2 ttt180 -58.46 -47.95 82.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.707 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 71.6 mt-10 -68.14 -33.75 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.326 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD23 HD21 ' B' ' 45' ' ' LEU . 89.9 mt -58.99 -51.46 69.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.258 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.01 -27.4 73.42 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.88 -28.67 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.203 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 17.2 m -102.27 -11.37 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 23.5 18.43 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.537 -0.84 . . . . 0.0 113.39 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.614 HD21 ' H ' ' B' ' 43' ' ' LYS . 88.6 mt -95.42 -25.31 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.754 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . 3.1 tm? -85.95 -24.12 26.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.784 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.66 139.28 16.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.44 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -142.92 176.25 9.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -153.19 121.01 6.04 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 75.5 mt -106.71 159.78 15.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.953 0.406 . . . . 0.0 110.553 -178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.668 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 8.2 m -113.71 174.64 5.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -54.8 -33.98 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.32 -54.23 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.098 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.668 ' HG2' ' H ' ' A' ' 30' ' ' SER . 1.9 pm0 -70.62 -18.91 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.41 -28.59 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.441 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.85 -33.93 74.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.172 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.3 -21.81 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.948 0.404 . . . . 0.0 111.497 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 71' ' ' PHE . 59.1 mt -94.8 -53.04 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.924 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.42 -27.43 56.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.664 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.11 37.48 2.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.141 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.381 179.113 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.782 0.325 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -128.08 -165.47 1.49 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.614 ' H ' HD21 ' A' ' 24' ' ' LEU . 43.6 mmtt -72.36 -176.2 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.61 0.719 . . . . 0.0 111.62 -173.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.416 ' O ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.47 161.34 36.61 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.398 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.718 HD21 HD23 ' A' ' 19' ' ' LEU . 21.8 mt -73.45 173.84 9.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.515 -177.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.416 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.1 mmmm -90.69 -49.22 6.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 -175.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.6 m -91.24 129.82 37.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.236 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -68.2 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.763 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 -8.75 35.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.426 . . . . 0.0 111.033 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.21 -42.34 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.3 t70 -57.76 -36.24 71.84 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.023 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -53.42 -46.41 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.413 ' H ' HD12 ' B' ' 53' ' ' ILE . 4.5 mp -70.21 -42.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.01 -31.51 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.009 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 66.7 mm-40 -89.14 -18.52 27.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.983 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -112.16 31.58 6.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -176.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.2 m -146.6 85.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.278 0.561 . . . . 0.0 111.198 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.58 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -73.29 -19.48 61.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.193 0.521 . . . . 0.0 110.37 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -84.2 -44.39 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.71 -29.52 62.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.086 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.01 -21.47 56.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.749 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 mt -75.98 -29.15 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.165 0.507 . . . . 0.0 109.955 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 2.39 23.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.963 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -85.05 -18.04 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.426 . . . . 0.0 110.095 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.42 ' HB2' HG23 ' B' ' 69' ' ' VAL . 84.6 m-85 -92.15 129.95 37.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.44 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.416 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 92.4 m-20 -73.05 -23.24 60.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.599 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 99.4 m -71.77 -30.8 65.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.847 0.832 . . . . 0.0 109.661 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.47 HG13 HD13 ' B' ' 119' ' ' ILE . 60.7 t -74.54 -59.43 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.267 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -54.32 -36.08 63.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.668 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CD2' HD13 ' A' ' 37' ' ' LEU . 48.5 t80 -55.59 -52.09 64.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.112 0.482 . . . . 0.0 111.05 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.402 ' HB3' ' CD1' ' B' ' 108' ' ' LEU . 33.5 m80 -72.76 -29.38 63.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.244 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.63 ' O ' HG22 ' B' ' 76' ' ' VAL . 89.4 mt -72.93 -36.82 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -67.84 -31.27 70.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.936 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 14.5 mmmm -56.05 -34.73 66.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 176.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.63 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.5 m -84.01 -33.33 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.231 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.3 t80 -60.27 -40.75 91.5 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.464 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 81.9 mtt180 -60.6 -29.97 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.257 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -73.04 -48.65 43.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.624 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.596 HD22 ' O ' ' B' ' 76' ' ' VAL . 0.7 OUTLIER -62.48 -15.15 48.39 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' B' ' 82' ' ' SER . 19.4 m -76.22 -50.9 13.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' B' ' 81' ' ' SER . 32.0 t 169.84 148.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.438 0.461 . . . . 0.0 110.289 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.572 HG23 HG22 ' B' ' 84' ' ' VAL . 12.4 t -114.65 -32.56 5.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.062 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.572 HG22 HG23 ' B' ' 83' ' ' THR . 10.8 m -146.48 170.51 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -131.82 24.85 4.67 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.07 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.66 -23.7 60.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.122 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.45 22.34 67.64 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.697 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.2 t -68.44 -33.32 73.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.347 0.594 . . . . 0.0 110.317 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t -106.75 99.68 9.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.958 175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 -51.06 4.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.164 -174.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -91.8 8.75 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.225 0.536 . . . . 0.0 111.773 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.419 ' HB3' ' HB3' ' B' ' 95' ' ' ASP . 46.2 mtm -132.31 -86.33 0.47 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.559 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.8 t-20 59.86 -74.96 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.321 0.648 . . . . 0.0 111.758 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 14.9 p -59.19 -29.75 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.871 0.367 . . . . 0.0 110.688 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 21.1 t70 -67.13 -35.26 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.633 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.4 OUTLIER -71.39 -31.32 67.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.307 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.539 ' OE1' HG22 ' B' ' 83' ' ' THR . 12.7 mm100 -62.92 -32.5 73.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.69 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.585 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.7 mptm? -55.86 -44.15 77.8 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.794 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.9 -53.93 52.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.159 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 103' ' ' ASN . 4.3 mm? -60.44 -37.98 82.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.873 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.11 -46.21 85.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.729 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 98' ' ' LYS . 86.0 t -61.26 -32.81 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.547 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 100' ' ' LEU . 16.8 m-80 -55.75 -29.41 59.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.2 m-85 -81.2 -44.44 17.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.452 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.17 -33.07 71.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.756 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.42 -30.14 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.032 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.4 ' HB ' HG12 ' B' ' 113' ' ' ILE . 62.8 p -94.93 -3.63 48.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.546 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 89.1 mt -104.81 -17.87 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.367 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -83.02 172.45 12.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.858 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.19 134.96 56.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.13 35.27 24.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.32 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.42 -159.54 18.59 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.4 HG12 ' HB ' ' B' ' 107' ' ' THR . 19.3 pt -100.4 -47.0 11.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 111.641 -177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -127.05 47.09 2.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.6 p90 -78.93 151.34 31.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.57 -169.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' B' ' 119' ' ' ILE . 11.9 m120 -119.87 130.89 55.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 8.5 pt-20 -62.94 -23.28 67.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.753 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.455 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.34 -30.59 64.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.784 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' B' ' 116' ' ' ASN . 25.3 mm -71.15 -41.12 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 10.6 tp10 -58.13 -50.86 72.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.868 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 20.3 mm-40 -59.98 -43.23 95.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.438 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -53.35 -54.51 35.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.399 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 63.3 m -57.28 -50.09 74.01 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.718 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 76.7 mm-40 -64.34 -54.27 35.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.757 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -59.03 -42.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.699 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 15' ' ' PHE . 45.3 tp -71.47 -53.96 12.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.771 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' A' ' 12' ' ' LEU . 2.6 pp -65.0 -27.87 69.12 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.376 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.56 -44.77 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.381 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -80.94 -31.45 34.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.008 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 74.2 mt -67.34 -26.55 66.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.447 177.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -90.41 -16.42 29.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.48 -13.66 54.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.295 0.569 . . . . 0.0 111.124 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.21 -17.54 7.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-O 121.867 0.841 . . . . 0.0 109.505 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 70.5 mmtt -88.84 87.44 7.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.501 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.465 ' HG2' ' OXT' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.136 -0.935 . . . . 0.0 109.407 175.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.36 100.19 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.371 2.047 . . . . 0.0 111.666 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -62.51 112.21 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptm -77.21 134.67 38.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.811 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.43 136.04 40.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.98 -176.04 2.86 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.719 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.573 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 28.5 m-80 -119.19 10.93 12.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 6.0 pt-20 -56.23 -53.66 54.55 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.723 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.807 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 20.9 m-80 -61.04 -35.95 78.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -60.0 -51.27 70.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.698 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 32.8 mt-30 -58.8 -43.97 90.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 176.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.3 mp -55.06 -44.33 74.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.249 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 79.9 mt -59.48 -53.73 54.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.576 -177.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -66.14 -28.89 69.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.6 t80 -64.9 -54.58 28.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.863 175.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.2 mt -59.35 -36.33 63.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.246 176.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 56.5 ttt180 -62.88 -46.31 88.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.668 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 51.0 mt-10 -64.77 -35.15 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.285 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 86.1 mt -53.25 -51.07 63.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.982 0.42 . . . . 0.0 110.604 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.72 -25.74 74.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.197 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.25 -30.25 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.892 0.346 . . . . 0.0 111.698 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.789 HG23 HD13 ' A' ' 24' ' ' LEU . 3.2 m -102.08 -22.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.807 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.6 38.2 1.34 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.118 -1.039 . . . . 0.0 111.814 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.789 HD13 HG23 ' A' ' 22' ' ' VAL . 5.1 mp -106.05 -30.99 8.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.052 -0.574 . . . . 0.0 109.976 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' B' ' 74' ' ' ALA . 20.5 tp -94.3 -1.4 53.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.6 136.31 57.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.157 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.517 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 43.9 p90 -142.88 176.54 8.99 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.406 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -161.41 108.63 1.44 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -82.83 134.83 35.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.793 -171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -91.69 173.07 8.07 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.58 -40.46 68.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.668 0.271 . . . . 0.0 111.473 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.629 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.337 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 22.4 mm-40 -66.26 -28.72 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.466 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -80.29 -28.01 38.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.579 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.23 -32.01 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.28 -24.17 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 0.0 111.447 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.9 mt -93.85 -53.63 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.406 -176.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -87.34 -24.62 24.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.246 0.546 . . . . 0.0 110.496 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.13 -68.29 3.5 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.582 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 178.259 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -99.89 -159.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.04 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.607 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 1.8 mptt -80.33 177.59 8.86 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.419 HG22 ' NE2' ' B' ' 55' ' ' GLN . 2.4 p -108.0 162.2 14.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.83 0.348 . . . . 0.0 111.432 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 19' ' ' LEU . 44.7 mt -79.35 173.38 12.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.743 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -96.24 -32.66 12.32 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.129 -173.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -91.66 125.47 36.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.712 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -61.14 -40.32 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.423 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.58 74.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.02 0.438 . . . . 0.0 110.762 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.414 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.1 m-85 -80.34 -44.68 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.656 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 38.5 t70 -58.71 -38.67 78.82 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.404 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.97 -53.11 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.824 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' B' ' 129' ' ' LYS . 4.3 mt -65.67 -42.03 91.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.409 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 75.3 t80 -58.56 -33.56 70.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.396 . . . . 0.0 110.95 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 60.6 mm-40 -88.93 -32.61 17.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.404 HD22 ' N ' ' B' ' 56' ' ' ASN . 1.0 OUTLIER -83.22 -18.16 40.22 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.5 m -114.19 93.83 4.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.521 0.677 . . . . 0.0 110.431 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.9 58.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.039 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.432 ' HG2' HG21 ' B' ' 125' ' ' ILE . 1.3 pm0 -77.29 -20.08 55.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 109.741 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.32 -35.75 40.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -66.41 -40.87 89.85 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.63 -23.45 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.924 0.393 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.411 ' O ' HG21 ' B' ' 69' ' ' VAL . 78.9 mt -71.11 -30.97 67.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.695 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.6 9.35 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -89.22 -18.45 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.007 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.545 ' O ' HG22 ' B' ' 69' ' ' VAL . 67.6 m-85 -89.57 118.85 29.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 109.907 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -59.93 -35.5 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.745 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.7 m -60.41 -41.64 94.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.758 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.9 m -82.42 -38.89 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.146 -174.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.517 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 ttpt -70.07 -30.14 67.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.091 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.401 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 38.1 t80 -58.38 -48.09 81.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -70.11 -34.66 73.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.178 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.649 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.0 mt -69.14 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.72 -28.83 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.763 0.316 . . . . 0.0 110.952 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.3 mtpt -64.73 -33.75 76.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.649 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.4 m -79.27 -32.52 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.9 t80 -60.45 -36.19 77.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.063 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -58.86 -41.86 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.391 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.83 -49.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.128 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.2 mm? -65.73 -12.5 54.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 34.5 m -90.13 -48.77 6.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 30.7 p -176.09 139.85 0.39 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.291 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.614 ' HB ' HE22 ' B' ' 97' ' ' GLN . 7.2 t -104.43 -24.63 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 25.5 m -131.67 157.8 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.118 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.47 55.72 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.37 0.605 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -149.35 -89.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.92 41.45 99.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.23 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -60.88 119.66 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.048 0.452 . . . . 0.0 111.406 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.7 m -60.18 143.66 51.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.817 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.22 -14.63 15.92 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -133.55 99.28 4.45 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 90.1 mmm -45.32 114.97 0.83 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -102.04 -43.07 5.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.752 -175.338 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -56.39 -41.0 75.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.571 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.474 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -74.9 -29.28 60.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.672 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -64.35 -28.52 69.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.569 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.3 mptm? -57.89 -31.97 67.26 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -58.83 3.1 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.404 HD22 ' N ' ' B' ' 100' ' ' LEU . 3.4 mm? -58.82 -36.27 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.131 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -61.48 -45.62 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 98' ' ' LYS . 93.6 t -61.68 -33.1 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -62.32 -23.75 66.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.431 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.482 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.0 m-85 -82.23 -40.62 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 110.386 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' B' ' 109' ' ' ARG . 3.8 mm? -62.84 -31.07 72.01 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.263 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.24 -40.1 92.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.68 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.4 p -78.29 -9.87 59.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 82.5 mt -102.86 -14.99 16.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.459 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' B' ' 105' ' ' LEU . 30.5 mtp180 -88.55 172.82 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.258 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -55.33 133.14 49.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.179 0.514 . . . . 0.0 111.604 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.38 10.74 67.7 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.438 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.52 -174.28 45.94 Favored Glycine 0 N--CA 1.435 -1.406 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.498 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 114' ' ' HIS . 26.3 pt -88.18 -46.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -174.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.403 ' N ' HG13 ' B' ' 113' ' ' ILE . 27.0 m170 -126.43 46.83 2.38 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 1.1 p90 -77.14 150.21 35.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.273 -171.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -123.85 132.5 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.693 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.68 -29.47 70.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 -171.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.768 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -71.87 -34.04 68.89 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.273 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' B' ' 108' ' ' LEU . 46.1 mm -68.6 -39.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.049 0.452 . . . . 0.0 109.792 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.39 -52.77 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.4 -38.93 93.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.648 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -53.71 -53.05 57.55 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.762 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 44.4 t -56.7 -47.61 79.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.726 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 86.5 mm-40 -65.65 -52.9 48.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.895 -174.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.9 mt -62.92 -42.49 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.08 0.467 . . . . 0.0 110.887 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 130' ' ' LEU . 43.0 tp -69.49 -54.39 14.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.677 -175.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.77 -27.73 69.5 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.964 0.412 . . . . 0.0 109.957 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 12.9 t70 -56.54 -42.43 78.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.473 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.44 ' CB ' HG12 ' B' ' 53' ' ' ILE . 62.0 mmtt -90.66 -31.21 16.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.571 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' B' ' 126' ' ' LEU . 57.6 mt -64.52 -29.92 70.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.251 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -90.76 -12.83 35.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.801 0.334 . . . . 0.0 110.732 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.13 -5.42 55.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.45 -21.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.736 0.779 . . . . 0.0 109.309 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.27 91.77 5.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.64 -179.249 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.11 104.21 0.7 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.714 2.276 . . . . 0.0 111.942 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 112.11 11.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -62.73 121.0 12.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.022 0.439 . . . . 0.0 110.604 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.07 128.3 35.41 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.394 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.58 169.81 8.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.046 0.451 . . . . 0.0 110.32 -175.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -100.55 10.44 41.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -59.2 -49.08 79.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.898 178.674 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.739 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.2 p30 -58.06 -36.51 72.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.173 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.6 m -60.66 -33.78 73.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.253 0.549 . . . . 0.0 110.514 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.557 ' HB3' HD13 ' B' ' 130' ' ' LEU . 0.1 OUTLIER -78.92 -40.3 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.045 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.0 mp -52.7 -51.54 59.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.302 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 46.4 mt -55.89 -53.48 56.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.373 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.93 -27.15 62.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.681 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.81 -58.65 5.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.885 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.72 -37.14 38.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.211 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 35.6 ttt180 -58.91 -42.42 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.261 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -68.47 -36.94 79.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.461 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mp -60.03 -51.36 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.49 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.22 73.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.01 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.26 -40.72 81.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.764 0.282 . . . . 0.0 111.285 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' HD3' ' B' ' 46' ' ' LYS . 8.8 m -95.95 -16.52 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.002 0.429 . . . . 0.0 111.187 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.55 37.22 4.06 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.968 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD21 ' H ' ' B' ' 43' ' ' LYS . 86.9 mt -97.83 -13.03 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.492 . . . . 0.0 110.207 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.1 tp -102.41 -9.46 20.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.18 136.19 57.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.908 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -140.93 176.52 8.73 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.95 127.08 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.222 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.19 146.43 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.087 0.47 . . . . 0.0 111.649 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -87.59 169.69 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.548 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -52.76 -45.38 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.659 0.266 . . . . 0.0 111.332 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.48 -44.14 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.473 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 47.9 mt-10 -64.12 -33.74 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.579 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.1 -31.48 61.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 110.236 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.56 -29.76 63.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.358 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.11 -26.82 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.7 mt -93.87 -49.43 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -175.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -76.31 -29.22 57.25 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.87 38.87 2.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.266 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.918 -178.675 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptm . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -133.7 -169.54 2.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.587 ' H ' HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -106.05 170.33 7.97 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -107.28 168.71 9.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.79 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 38.6 mt -76.87 -177.64 4.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.061 0.457 . . . . 0.0 111.755 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.5 mmmm -86.33 -45.38 11.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 51.0 m -97.21 131.76 43.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.993 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -68.9 -32.85 72.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.845 0.355 . . . . 0.0 110.45 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.01 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.24 -44.45 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.71 -35.18 65.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.8 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.12 -51.01 57.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.804 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.542 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -66.8 -40.88 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.441 ' CE2' HD13 ' A' ' 24' ' ' LEU . 79.9 t80 -61.81 -29.46 70.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.3 mm-40 -91.97 -29.8 16.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -96.17 -9.89 29.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 58.3 m -118.73 85.87 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.225 0.535 . . . . 0.0 110.379 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.772 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' B' ' 59' ' ' GLU . 6.1 pt-20 -69.26 -25.04 64.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.892 176.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -84.31 -35.79 23.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.234 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.16 -35.61 69.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.792 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.61 -27.35 68.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.413 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.42 HD11 HD12 ' B' ' 125' ' ' ILE . 57.8 mt -72.13 -31.01 65.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.994 178.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.85 -11.62 60.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.137 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.96 -33.85 75.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.074 0.464 . . . . 0.0 110.095 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -70.41 129.67 39.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.991 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -76.1 -19.34 58.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.213 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 94.3 m -70.11 -34.51 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.769 0.795 . . . . 0.0 109.317 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' B' ' 73' ' ' LEU . 76.3 t -69.61 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.679 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -51.16 -39.57 56.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.379 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 57.8 t80 -56.67 -52.52 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 111.32 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -66.54 -37.76 85.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 76' ' ' VAL . 73.7 mt -69.68 -37.79 76.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.819 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.79 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.783 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 53.6 mtpt -65.27 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -76.76 -30.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.274 -0.571 . . . . 0.0 109.657 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 25.2 t80 -60.86 -38.03 84.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.365 175.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 53.4 mtm180 -62.86 -23.97 67.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.265 0.555 . . . . 0.0 110.58 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -78.48 -44.01 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.888 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.92 -19.32 62.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.048 0.452 . . . . 0.0 110.297 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.2 t -89.25 17.46 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.6 m 72.0 119.29 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.927 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -59.65 -26.84 65.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.004 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.3 m -122.29 172.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.972 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -110.93 29.19 7.99 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.274 0.559 . . . . 0.0 110.158 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -108.68 -64.64 1.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.616 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.63 58.15 10.88 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.641 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 26.8 t -85.39 -2.28 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.3 m -56.87 126.29 26.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.302 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.66 -32.4 46.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.395 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -98.78 51.33 0.98 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.082 0.468 . . . . 0.0 109.94 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 27.4 ttm 66.36 148.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.424 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.594 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.7 t-20 -96.49 -47.75 5.83 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.28 -176.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 29.0 p -64.72 -26.68 68.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.797 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.4 -38.89 91.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.506 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -31.78 44.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 15.5 mm100 -62.78 -23.67 67.34 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.5 ' O ' HG23 ' B' ' 102' ' ' VAL . 13.7 mptt -53.0 -45.91 68.11 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.43 174.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.64 -50.62 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.14 -34.85 79.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.96 -49.06 71.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 98' ' ' LYS . 60.4 t -62.24 -35.36 68.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.662 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -54.68 -33.52 60.96 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.471 ' O ' HD23 ' B' ' 108' ' ' LEU . 5.7 m-85 -72.99 -50.88 20.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.62 -24.29 67.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.895 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' B' ' 102' ' ' VAL . 84.1 m-20 -71.79 -17.71 62.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.406 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 64.8 p -96.64 -11.58 25.04 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.656 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.6 mm? -95.07 -5.65 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.51 174.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -73.87 150.78 40.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.507 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.11 125.13 19.25 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.11 33.87 11.49 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.487 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.84 -151.66 16.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.833 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 pt -107.91 -46.46 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -126.61 46.32 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.934 0.397 . . . . 0.0 110.258 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.49 ' HA ' HD13 ' B' ' 108' ' ' LEU . 5.7 p90 -83.98 142.87 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.493 -176.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.439 ' HB2' HG12 ' B' ' 119' ' ' ILE . 10.7 m120 -105.49 149.22 26.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.866 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.65 -34.47 77.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.724 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.36 -25.79 51.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.656 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.9 mm -77.82 -36.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.05 -50.29 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -66.18 -42.41 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -51.1 -58.37 6.29 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.759 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.4 m -54.86 -46.4 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.794 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 81.6 mm-40 -65.27 -52.52 53.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.675 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.429 HG21 ' HG3' ' B' ' 59' ' ' GLU . 94.2 mt -62.68 -42.13 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 111.128 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.461 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -67.95 -60.4 2.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.19 -175.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.06 -29.22 67.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.151 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 24.0 t70 -57.78 -50.03 74.62 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.937 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.542 ' HB2' HG12 ' B' ' 53' ' ' ILE . 30.6 mmtp -79.47 -25.95 41.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.773 -175.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.665 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 85.5 mt -70.36 -39.85 74.41 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.536 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -79.97 -3.13 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.073 0.463 . . . . 0.0 110.11 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.78 -7.47 49.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.552 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.68 -26.41 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.65 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' B' ' 130' ' ' LEU . 14.3 mmmm -59.9 114.29 2.73 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.539 178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.336 -179.121 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.453 0 N-CA-C 111.629 -0.589 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.69 74.99 4.15 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.988 2.459 . . . . 0.0 112.181 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 62.78 177.23 0.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.342 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.8 mtm 63.09 -159.27 0.32 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.466 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -58.95 145.69 40.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 0.0 110.308 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.65 108.73 19.84 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.126 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.605 HD22 ' N ' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -92.32 1.82 57.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.658 -170.107 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 pm0 -59.81 -36.31 76.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 167.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.745 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 45.7 m-80 -60.8 -46.56 90.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.07 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 t -51.97 -41.49 62.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.902 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.2 mm100 -74.76 -38.75 62.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 97.7 mt -59.38 -46.86 87.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.905 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 60.5 mt -55.56 -57.08 13.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.725 -175.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.4 m-20 -67.37 -29.32 68.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' B' ' 126' ' ' LEU . 41.6 t80 -65.02 -58.41 6.17 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -55.84 -37.11 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.548 0.69 . . . . 0.0 110.205 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 61.6 ttt180 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.006 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 62.3 mt-10 -66.95 -35.24 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.207 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . 10.9 mp -57.69 -50.05 74.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.09 78.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.665 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.51 -29.63 68.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.627 0.251 . . . . 0.0 111.666 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' GLU . 27.9 m -104.35 -1.28 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 111.033 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 35.96 15.28 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.503 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' HG2' ' B' ' 43' ' ' LYS . 81.8 mt -107.08 -5.02 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.997 0.427 . . . . 0.0 111.126 175.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . 55.4 tp -105.8 -13.9 15.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.82 138.55 54.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.529 0.68 . . . . 0.0 111.049 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -134.84 177.62 7.65 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.39 -170.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -142.22 114.56 8.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 95.6 mt -98.48 134.34 41.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.046 0.451 . . . . 0.0 111.867 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -86.97 172.88 9.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.416 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -56.01 -43.87 78.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 0.0 111.198 -177.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.68 -43.63 92.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.426 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 40.2 mt-10 -66.63 -28.37 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.454 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.93 -33.85 59.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.26 -33.23 72.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.33 -23.42 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.531 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.5 mt -94.4 -53.0 4.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.401 . . . . 0.0 111.339 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -79.09 -23.2 44.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.024 0.44 . . . . 0.0 110.286 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.15 7.18 79.25 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.243 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.298 179.203 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 121.195 0.522 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -135.72 142.44 45.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.675 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.569 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -80.52 155.95 26.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.311 0.577 . . . . 0.0 110.787 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -120.22 177.82 4.87 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.312 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 19' ' ' LEU . 33.9 mt -74.23 -178.05 3.25 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.077 0.465 . . . . 0.0 111.144 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -95.06 -41.79 8.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.724 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -92.05 124.43 36.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.413 173.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 46.9 tptt -66.31 -33.87 76.71 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.915 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.611 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.35 -44.46 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 33.3 t70 -54.02 -36.28 62.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.069 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.95 -52.83 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.288 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.8 mp -64.81 -40.45 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.755 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -60.6 -32.76 71.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 62.7 mm-40 -87.98 -17.36 31.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.738 0.304 . . . . 0.0 110.898 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -112.53 32.93 5.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -146.94 81.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.189 0.518 . . . . 0.0 110.831 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.21 73.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.588 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 8.2 pt-20 -72.34 -19.49 61.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.441 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -84.28 -46.64 11.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.994 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.18 -27.73 67.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.174 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.588 ' OE2' ' HA ' ' B' ' 59' ' ' GLU . 12.3 pt-20 -74.82 -26.91 60.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.88 -29.23 58.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.374 0.606 . . . . 0.0 109.411 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 75.2 mt -79.85 15.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -99.47 -17.87 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.227 0.536 . . . . 0.0 109.814 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.444 ' HB2' HG23 ' B' ' 69' ' ' VAL . 63.9 m-85 -89.48 123.58 33.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.843 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 93.8 m-20 -69.08 -19.33 64.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.491 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.3 m -68.04 -46.31 71.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.855 0.836 . . . . 0.0 108.948 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 HD13 ' B' ' 119' ' ' ILE . 58.1 t -62.65 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.439 178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 51.8 mtpt -56.11 -33.68 65.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.526 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.449 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 63.7 t80 -63.52 -52.85 59.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.438 . . . . 0.0 110.816 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -67.57 -30.36 69.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.773 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.599 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.1 mt -73.85 -38.64 64.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.33 -30.34 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.978 0.418 . . . . 0.0 110.175 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 30.1 mmmt -57.91 -41.45 82.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.073 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.599 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.3 m -77.28 -32.56 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.216 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 14.1 t80 -58.26 -43.6 87.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.504 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 88.3 mtt180 -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.561 . . . . 0.0 110.529 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' B' ' 76' ' ' VAL . 64.4 mt -70.91 -46.32 68.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.96 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.485 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.8 mm? -68.78 -22.82 64.26 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.128 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p -91.39 26.77 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.4 m 72.12 117.55 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.43 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -79.51 -19.9 48.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.467 0.651 . . . . 0.0 109.845 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.51 169.12 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.439 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.63 24.57 12.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.961 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.06 -56.27 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.024 -176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.97 55.62 10.48 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.961 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' B' ' 93' ' ' ASN . 16.4 m -57.69 121.21 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.5 p -95.89 143.3 27.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.227 -175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 -56.91 5.04 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.729 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -90.54 16.13 9.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.76 0.314 . . . . 0.0 110.279 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 33.96 113.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 173.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.628 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -72.86 -36.42 67.41 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.878 -1.51 . . . . 0.0 108.858 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -31.27 72.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.65 -36.33 75.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.062 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.0 OUTLIER -77.93 -31.29 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.34 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.4 mm100 -59.81 -33.58 71.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 102' ' ' VAL . 56.1 mttt -61.13 -31.16 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.88 -52.57 55.85 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.255 0.55 . . . . 0.0 109.582 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.02 -32.24 72.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.347 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.61 -51.3 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 98' ' ' LYS . 66.0 t -60.39 -36.53 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.723 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -52.56 -40.4 62.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.96 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.3 m-85 -68.3 -47.06 68.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.0 mm? -61.4 -31.95 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.692 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.42 -44.88 95.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.057 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -76.97 -10.3 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.652 ' HB3' HG21 ' B' ' 119' ' ' ILE . 79.0 mt -101.37 -2.83 29.99 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -105.54 -177.79 3.47 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.636 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -48.14 132.14 15.86 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.226 0.536 . . . . 0.0 111.963 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.78 33.99 57.0 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.526 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.24 -149.01 24.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.877 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.24 -46.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.857 0.36 . . . . 0.0 110.605 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -118.92 38.41 3.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.559 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 1.4 p90 -80.18 146.48 31.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.874 -172.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.411 ' HB2' HG12 ' B' ' 119' ' ' ILE . 7.6 m120 -123.58 147.16 47.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.7 -27.95 69.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.413 ' HB3' HG22 ' B' ' 69' ' ' VAL . . . -72.86 -35.35 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.638 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -70.94 -39.07 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 42.1 tt0 -58.94 -49.9 76.1 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.27 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.1 -43.05 99.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.703 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.42 -57.54 8.71 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.475 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 26.4 p -60.62 -41.64 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.053 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 81.8 mm-40 -67.13 -51.68 50.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.543 0.211 . . . . 0.0 111.32 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.509 HG21 ' HG3' ' B' ' 59' ' ' GLU . 75.0 mt -58.94 -44.68 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.389 0.614 . . . . 0.0 110.469 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 15' ' ' PHE . 32.8 tp -70.09 -50.75 37.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.782 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.419 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.3 pp -65.81 -27.11 68.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.337 -175.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.82 -45.9 78.21 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.243 0.544 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.525 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.9 mmtt -85.29 -29.82 24.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.556 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 11' ' ' GLN . 79.3 mt -70.99 -24.97 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.25 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -97.31 -4.0 39.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.765 0.317 . . . . 0.0 110.626 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.11 -7.95 58.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.314 0.578 . . . . 0.0 110.83 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.6 p -96.92 -20.44 5.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.882 0.849 . . . . 0.0 109.155 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -77.52 112.02 13.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.085 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 12.5 mptt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.991 -179.457 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.866 -0.493 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.56 107.23 1.2 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.507 2.138 . . . . 0.0 112.278 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -71.63 124.41 24.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.477 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mtp -110.09 160.55 16.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -115.87 150.79 36.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.865 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.28 153.5 9.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -75.51 -3.65 35.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.002 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.5 pt-20 -60.71 -36.58 79.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 168.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.804 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 44.3 m-80 -72.56 -32.99 66.49 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.036 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -58.83 -40.58 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.52 ' HB3' HD13 ' B' ' 130' ' ' LEU . 13.4 mm100 -63.22 -43.04 99.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.101 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.729 HD23 HD12 ' B' ' 126' ' ' LEU . 59.7 mt -58.86 -51.03 71.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.809 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.0 mt -56.31 -54.34 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.331 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 6.0 m-20 -70.88 -24.41 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.276 -176.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CE1' HD21 ' B' ' 126' ' ' LEU . 61.2 t80 -67.58 -52.1 42.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.183 0.516 . . . . 0.0 109.729 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.5 -35.65 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.246 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 44.5 ttt180 -63.68 -46.97 83.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.238 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 45.8 mt-10 -70.73 -31.91 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.173 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.55 -54.54 39.84 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.779 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 25' ' ' LEU . . . -70.73 -24.13 77.22 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.78 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.65 -35.03 76.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.726 0.298 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 18' ' ' GLU . 11.8 m -94.51 -12.45 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 110.485 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 96.23 21.9 21.27 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.237 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' B' ' 54' ' ' TYR . 87.6 mt -82.91 -11.61 58.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.741 0.781 . . . . 0.0 109.861 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' B' ' 73' ' ' LEU . 45.1 tp -104.92 -18.14 14.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.98 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.9 pt-20 -67.26 136.27 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 110.137 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 71' ' ' PHE . 33.8 p90 -139.04 177.23 8.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.736 -172.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -142.86 106.57 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.13 140.77 29.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.72 -172.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -87.33 167.64 13.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.479 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -50.61 -44.94 57.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.573 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.23 -40.44 86.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 41.8 mt-10 -66.99 -27.7 67.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -27.55 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.239 0.542 . . . . 0.0 109.937 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 31.0 t70 -70.5 -36.05 73.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.287 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 m -80.94 -24.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.908 0.385 . . . . 0.0 111.511 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mt -94.45 -53.75 3.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 0.0 111.429 -176.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.69 -29.66 36.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.295 0.569 . . . . 0.0 110.488 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 61.36 26.31 66.07 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.847 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.554 -179.597 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.8 m120 64.2 -158.38 0.3 Allowed 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.703 0.627 . . . . 0.0 110.791 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.612 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -81.9 174.18 11.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.318 -178.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.06 171.05 7.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.77 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 51' ' ' ASP . 41.7 mt -83.83 174.35 10.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 110.648 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -92.36 -48.74 6.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.171 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 62.7 m -77.66 123.49 26.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.557 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.82 -39.14 90.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.076 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.91 -15.38 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.336 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.79 -40.43 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.298 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.6 t70 -58.9 -38.45 78.91 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.707 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -50.35 -51.73 43.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.08 -40.41 85.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.076 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 24' ' ' LEU . 73.6 t80 -60.2 -30.53 69.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.5 mm-40 -90.66 -20.76 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.385 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -104.44 -5.72 21.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -111.39 83.03 1.7 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.572 0.701 . . . . 0.0 110.313 178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.28 -22.22 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.663 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.652 ' HA ' ' OE1' ' B' ' 62' ' ' GLU . 2.0 pm0 -74.92 -19.81 59.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.449 0.642 . . . . 0.0 109.473 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.19 -48.68 9.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.189 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -61.46 -24.57 66.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.652 ' OE1' ' HA ' ' B' ' 59' ' ' GLU . 10.6 pt-20 -72.24 -20.11 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.977 0.418 . . . . 0.0 109.878 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.98 -34.61 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.76 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.8 mm? -71.6 7.56 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.638 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -89.19 -12.07 41.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.212 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.618 ' O ' HG22 ' B' ' 69' ' ' VAL . 91.4 m-85 -95.13 116.8 29.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -62.42 -27.14 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -36.85 83.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.147 0.499 . . . . 0.0 110.849 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.618 HG22 ' O ' ' B' ' 66' ' ' TYR . 1.8 m -81.87 -39.67 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.925 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 26.1 mtpp -62.68 -36.09 81.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.935 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.497 ' CG ' HD13 ' A' ' 37' ' ' LEU . 58.6 t80 -57.11 -51.79 67.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.892 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -70.27 -29.56 66.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.224 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 25' ' ' LEU . 92.9 mt -72.77 -37.59 67.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.395 176.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.02 -31.18 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 71' ' ' PHE . 31.6 mmmt -58.9 -41.78 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.757 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.1 m -79.6 -32.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.281 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 13.3 t80 -56.56 -40.78 75.76 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.404 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 45.4 mtp180 -63.11 -35.73 81.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.453 HG23 ' HB ' ' B' ' 83' ' ' THR . 71.9 mt -64.6 -49.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.126 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' B' ' 80' ' ' LEU . 2.0 mm? -60.87 -20.72 62.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.647 0.26 . . . . 0.0 111.544 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -92.39 -50.12 5.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 10.3 p -175.44 97.57 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.134 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.52 ' CG2' HE22 ' B' ' 97' ' ' GLN . 4.3 t -71.17 -22.47 62.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -177.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.459 HG13 HG23 ' B' ' 83' ' ' THR . 8.5 m -137.44 177.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -91.59 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.137 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -126.18 -72.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.339 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.46 77.49 0.97 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.605 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -63.54 115.89 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 13.0 t -111.08 175.98 5.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.896 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.29 -52.15 4.68 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -97.14 38.34 1.25 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.672 0.272 . . . . 0.0 110.364 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.68 126.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.934 0.873 . . . . 0.0 112.447 -176.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.451 ' HA ' HD23 ' B' ' 96' ' ' LEU . 3.2 t-20 -103.12 -59.03 1.77 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.502 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 33.0 t -57.31 -40.38 77.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.19 -31.53 72.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.408 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.4 OUTLIER -73.83 -32.84 63.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.728 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -71.88 -30.94 65.93 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.103 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.58 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.9 mptm? -56.11 -41.92 76.03 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.261 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.18 -57.0 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.89 -31.12 70.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.334 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -67.38 -46.24 73.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.606 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 98' ' ' LYS . 87.3 t -60.48 -30.68 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 110.624 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.38 -30.78 71.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.257 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.7 m-85 -80.33 -41.79 24.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.586 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.8 mm? -61.43 -30.12 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -68.54 -26.91 65.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.488 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -89.5 -6.26 56.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.397 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.533 ' C ' ' HB2' ' B' ' 115' ' ' TYR . 82.3 mt -103.8 -3.05 25.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.694 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -96.27 159.34 15.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 63.7 t80 -48.56 130.37 17.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 111.645 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.14 58.08 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.995 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.8 -151.1 15.95 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.249 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.47 -40.67 2.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.687 0.279 . . . . 0.0 111.421 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -133.52 42.65 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.533 ' HB2' ' C ' ' B' ' 108' ' ' LEU . 2.5 p90 -74.58 151.39 39.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.545 -172.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.483 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.8 m120 -112.88 136.95 51.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.153 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 0.2 OUTLIER -60.9 -29.54 69.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.737 178.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.608 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.54 -44.13 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.701 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' B' ' 108' ' ' LEU . 42.6 mm -60.43 -36.53 70.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 110.559 176.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.507 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 43.5 tt0 -58.58 -40.18 82.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.759 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.452 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -49.96 -60.64 2.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.4 p -56.11 -44.16 78.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.625 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 75.7 mm-40 -64.99 -53.01 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.781 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.428 HG21 ' HG2' ' B' ' 59' ' ' GLU . 79.4 mt -62.0 -41.37 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.204 0.526 . . . . 0.0 111.116 -178.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -69.74 -59.14 3.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.279 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.4 pp -59.41 -30.13 68.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.315 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 19.7 t70 -55.63 -54.0 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -71.27 -35.23 71.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.71 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.562 HD12 HD13 ' B' ' 126' ' ' LEU . 56.1 mt -70.79 -15.76 62.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.769 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -102.93 -15.5 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.115 172.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.37 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.376 0.607 . . . . 0.0 110.736 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 6.9 p -96.62 -15.08 7.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.089 0.947 . . . . 0.0 109.199 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -91.06 101.39 14.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.609 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.933 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.91 137.82 35.89 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.036 2.491 . . . . 0.0 111.483 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -71.56 110.61 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.933 0.397 . . . . 0.0 110.679 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.6 mtp -84.77 135.51 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.733 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -136.08 157.11 47.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.905 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.99 -155.84 0.63 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -93.62 6.97 46.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.913 0.387 . . . . 0.0 110.61 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -60.34 -47.55 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.039 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.75 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -58.13 -32.78 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.143 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.86 -42.02 99.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.085 0.469 . . . . 0.0 110.017 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -75.11 -36.01 61.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.484 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 8' ' ' GLU . 4.4 mp -54.54 -45.14 73.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.869 176.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 61.7 mt -61.1 -48.9 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.415 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.25 -30.97 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.395 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.4 t80 -64.03 -53.89 42.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.893 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.1 mt -56.77 -40.8 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.843 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -61.93 -41.97 98.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.294 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 64.5 mt-10 -67.38 -33.65 75.64 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 176.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.0 mt -56.72 -52.04 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 110.618 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.89 -15.98 72.07 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.536 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -80.01 -30.37 39.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.557 0.218 . . . . 0.0 111.032 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 HD13 ' A' ' 24' ' ' LEU . 4.1 m -102.09 -21.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.645 0.26 . . . . 0.0 111.486 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.63 20.57 4.58 Favored Glycine 0 CA--C 1.508 -0.354 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.87 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 mp -91.46 -27.35 18.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.865 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 73' ' ' LEU . 47.8 tp -93.21 -14.55 26.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.368 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.99 139.99 57.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.336 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HB3' ' HE3' ' B' ' 70' ' ' LYS . 45.9 p90 -143.91 175.14 10.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.731 -173.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -145.14 110.35 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' B' ' 67' ' ' ASN . 92.1 mt -98.49 131.01 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -177.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -84.09 175.72 9.3 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.651 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.1 OUTLIER -61.56 -38.3 86.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.103 -178.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -61.7 -41.5 97.68 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.887 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 37.1 mt-10 -74.25 -32.54 63.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.496 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.96 -27.16 60.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.299 0.571 . . . . 0.0 109.919 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.7 -38.06 80.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.035 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 m -84.31 -23.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.457 -177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 68.3 mt -94.23 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.677 0.275 . . . . 0.0 111.604 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -79.85 -22.94 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.557 . . . . 0.0 109.848 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.29 4.59 83.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.136 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.46 179.662 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.432 ' HB2' ' OE1' ' B' ' 61' ' ' GLN . 20.8 mmt . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 m120 57.49 -155.99 0.32 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.525 0.515 . . . . 0.0 110.651 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.662 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -77.13 179.81 6.07 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -112.24 161.04 17.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 19' ' ' LEU . 44.5 mt -78.38 175.25 10.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.692 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -97.48 -37.87 9.81 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.517 -173.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 87.5 m -85.05 122.5 29.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -63.62 -34.9 78.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.334 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.37 79.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -79.11 -45.3 20.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.067 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.8 t70 -57.06 -34.88 68.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -50.57 -53.98 26.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.109 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.9 mp -65.94 -40.25 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.91 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.474 ' HD2' ' NE2' ' B' ' 55' ' ' GLN . 74.5 t80 -60.23 -39.61 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.081 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.474 ' NE2' ' HD2' ' B' ' 54' ' ' TYR . 56.4 mm-40 -83.84 -19.43 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 110.563 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.6 24.35 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.118 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -146.74 97.82 2.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.051 0.453 . . . . 0.0 110.741 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.99 61.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 35.8 mm-40 -70.53 -38.95 74.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.159 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.88 -33.47 62.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.479 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 18.6 tp60 -65.99 -43.23 88.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.357 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.7 pt-20 -62.72 -34.91 78.15 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.287 -173.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.09 -36.33 83.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.98 10.6 9.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 32.0 mmmt -100.07 -3.86 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -105.69 136.33 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.051 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 95.4 m-20 -74.08 -20.91 60.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.515 -176.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 88.1 m -71.01 -43.8 67.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.856 0.836 . . . . 0.0 109.758 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.51 -55.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.022 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 27' ' ' TYR . 55.7 mtmt -56.3 -37.92 70.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.956 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -57.55 -52.42 65.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.0 111.118 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.457 ' HB3' HD13 ' B' ' 108' ' ' LEU . 25.1 m80 -70.62 -27.33 63.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.363 -176.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.613 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt -77.6 -34.04 53.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.819 0.342 . . . . 0.0 110.744 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.49 -26.82 68.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.791 177.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.64 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.613 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -84.38 -31.5 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.183 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 11.3 t80 -58.81 -40.49 84.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.954 0.407 . . . . 0.0 110.405 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 76.1 mtt180 -62.3 -28.82 70.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.665 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 69.7 mt -71.09 -56.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.902 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.516 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.6 mm? -57.62 -30.61 65.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 26.8 t -75.7 -39.56 57.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.433 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 84' ' ' VAL . 65.6 m -158.46 115.97 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 0.0 111.574 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.571 ' HB ' ' NE2' ' B' ' 97' ' ' GLN . 13.4 t -79.06 -26.53 43.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.737 0.779 . . . . 0.0 109.045 172.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.646 ' O ' ' HB3' ' B' ' 82' ' ' SER . 15.7 m -121.79 158.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.843 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -76.76 56.49 1.17 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.295 0.569 . . . . 0.0 111.474 -175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -143.07 -52.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.361 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.89 -7.35 13.17 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.381 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -55.47 113.0 1.25 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.998 0.427 . . . . 0.0 111.381 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 36.05 0.06 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.332 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.26 -34.89 13.13 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.829 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -82.06 73.74 9.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.463 ' C ' ' H ' ' B' ' 94' ' ' SER . 61.2 mmm 51.96 -103.41 0.15 Allowed 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.774 0.672 . . . . 0.0 110.262 -171.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.79 -19.75 0.22 Allowed 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.225 0.536 . . . . 0.0 111.728 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 92' ' ' MET . 12.7 p -72.66 -27.63 62.23 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.764 0.426 . . . . 0.0 111.961 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.01 -31.61 71.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 0.0 109.323 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -43.65 63.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.673 173.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.571 ' NE2' ' HB ' ' B' ' 83' ' ' THR . 0.1 OUTLIER -59.75 -35.55 74.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.29 178.518 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.8 mptt -48.47 -57.11 6.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.262 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -55.36 -55.89 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.14 -38.11 75.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' ' 13' ' ' LEU . . . -65.62 -50.07 66.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 98' ' ' LYS . 49.1 t -63.53 -31.79 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.808 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.421 ' HA ' ' OD1' ' B' ' 106' ' ' ASN . 14.7 m-80 -62.51 -22.59 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.802 178.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.37 -40.21 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.61 -26.81 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.669 0.271 . . . . 0.0 110.477 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 103' ' ' ASN . 14.2 m120 -61.95 -24.64 67.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.684 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.423 ' HB ' HG12 ' B' ' 113' ' ' ILE . 32.4 p -99.01 -2.49 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 115' ' ' TYR . 81.6 mt -116.52 -31.98 5.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.651 HH21 ' NE2' ' B' ' 124' ' ' GLN . 74.1 ttt180 -87.89 -73.28 0.49 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.774 -170.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -125.43 119.6 28.71 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.877 -174.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.23 55.82 27.19 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.655 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.76 -168.98 23.45 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.112 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.423 HG12 ' HB ' ' B' ' 107' ' ' THR . 13.5 pt -103.1 -33.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.249 0.547 . . . . 0.0 110.768 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.67 41.31 3.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.581 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -80.7 138.74 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.131 -169.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.573 ' HB2' HG12 ' B' ' 119' ' ' ILE . 6.9 m120 -113.2 137.25 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.622 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 121' ' ' GLU . 15.0 pt-20 -60.68 -25.48 66.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.404 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.127 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.573 HG12 ' HB2' ' B' ' 116' ' ' ASN . 43.9 mm -72.04 -37.63 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 8.9 tp10 -65.24 -46.88 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.605 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 117' ' ' GLU . 21.9 mm-40 -56.38 -45.11 80.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -53.96 -56.58 16.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.456 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.04 -46.47 89.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.138 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.651 ' NE2' HH21 ' B' ' 109' ' ' ARG . 79.0 mm-40 -63.12 -53.91 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.715 -175.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.403 HD11 ' CE2' ' A' ' 15' ' ' PHE . 42.3 tp -68.89 -49.05 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.445 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.62 -30.12 70.79 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.198 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -54.37 -46.95 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.247 0.546 . . . . 0.0 110.693 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.466 ' HB2' HG12 ' B' ' 53' ' ' ILE . 33.8 mmtp -84.61 -25.24 28.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.901 -177.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.412 ' O ' HG12 ' B' ' 133' ' ' VAL . 72.5 mt -72.49 -25.63 61.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.0 110.712 174.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -14.83 54.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 109.857 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.07 2.26 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.96 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 130' ' ' LEU . 7.3 p -99.65 -23.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.557 0.694 . . . . 0.0 109.873 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -83.04 109.79 17.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.684 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 10.7 mptt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.351 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.52 105.12 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.578 2.185 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.82 146.96 52.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.729 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -98.68 -177.77 3.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.117 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 55.27 -163.62 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 123.618 0.574 . . . . 0.0 111.218 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.35 172.74 13.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.005 0.431 . . . . 0.0 110.298 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -103.2 12.84 35.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.388 0.613 . . . . 0.0 110.625 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.4 pt-20 -62.28 -38.08 87.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.338 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 p30 -69.51 -36.06 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.325 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -57.6 -34.17 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.09 0.471 . . . . 0.0 110.304 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.46 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.3 mm100 -77.56 -40.18 43.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.296 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 9' ' ' ASN . 95.4 mt -55.91 -46.92 78.29 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.028 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.0 mt -58.92 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.482 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -29.45 69.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.48 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.1 t80 -69.47 -53.17 20.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.195 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' A' ' 19' ' ' LEU . 77.9 mt -55.67 -39.96 57.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.391 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 77.8 ttt180 -61.16 -44.59 97.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' VAL . 56.1 mt-10 -64.82 -35.17 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.285 177.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.576 HD23 HD21 ' B' ' 45' ' ' LEU . 74.5 mt -57.74 -52.99 63.2 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.192 0.52 . . . . 0.0 110.281 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -23.72 77.8 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.828 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.92 -30.22 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.824 0.312 . . . . 0.0 111.384 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' GLU . 29.3 m -98.55 -20.25 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.748 0.309 . . . . 0.0 110.936 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.3 28.11 5.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.441 -0.885 . . . . 0.0 113.395 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' HE3' ' B' ' 43' ' ' LYS . 56.6 mt -96.27 -27.73 14.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.071 0.462 . . . . 0.0 110.73 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' B' ' 73' ' ' LEU . 58.3 tp -86.06 -21.98 27.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.336 178.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.69 138.23 47.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.598 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HE1' ' CB ' ' B' ' 74' ' ' ALA . 49.5 p90 -146.63 178.29 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.726 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -145.65 138.53 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.46 HD13 HD12 ' A' ' 37' ' ' LEU . 59.5 mt -119.15 134.15 55.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m -86.26 172.06 10.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -57.97 -40.53 80.87 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.828 0.347 . . . . 0.0 110.609 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.66 -41.02 98.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 11.9 mm-40 -67.95 -32.77 73.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.13 -27.84 61.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.262 0.553 . . . . 0.0 110.214 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 23.9 t70 -66.31 -35.65 80.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.299 -176.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.44 -21.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.8 mt -94.84 -54.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.589 -176.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -85.02 -32.38 22.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.726 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 75.46 -68.63 2.1 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.993 -175.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.092 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.636 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.87 0.366 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.407 ' HB3' ' HE2' ' B' ' 43' ' ' LYS . 10.2 m120 -122.75 170.58 9.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.499 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.435 ' HE3' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.68 161.54 9.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 111.153 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.51 178.76 4.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.672 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.576 HD21 HD23 ' A' ' 19' ' ' LEU . 41.9 mt -75.28 173.31 11.03 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.28 0.562 . . . . 0.0 110.514 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -91.77 -36.57 13.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.27 -174.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 43.7 m -96.79 127.01 42.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.36 -36.66 84.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.215 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.31 71.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.473 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -81.85 -44.2 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.38 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 28.6 t70 -54.75 -41.07 70.0 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.096 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -51.56 -49.27 62.38 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.35 -41.64 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 110.937 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.55 -25.26 67.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 56.3 mm-40 -95.37 -39.2 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.495 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.13 -27.57 61.76 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.827 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.6 m -110.72 85.02 2.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.262 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -26.0 68.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.556 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 35.7 mt-10 -61.9 -36.33 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.045 175.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.27 -39.79 65.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.288 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -63.07 -42.21 99.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.609 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.7 pt-20 -68.64 -23.5 64.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.982 -173.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 84.3 mt -70.42 -38.55 74.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.204 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.3 mm? -72.73 7.95 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.837 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -99.49 5.72 46.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.919 0.39 . . . . 0.0 110.459 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.494 ' O ' HG22 ' B' ' 69' ' ' VAL . 84.4 m-85 -105.02 119.43 38.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.46 -33.42 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.978 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.421 HG23 ' CD2' ' A' ' 37' ' ' LEU . 97.3 m -62.08 -36.11 80.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' B' ' 118' ' ' ALA . 1.3 m -83.44 -38.99 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 25.8 mtpp -61.28 -40.82 95.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.819 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 42.7 t80 -55.77 -51.99 65.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.143 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -68.26 -35.81 78.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.538 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.625 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.1 mt -73.91 -34.85 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 110.998 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.22 -31.27 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 52.4 mtpt -63.26 -29.86 71.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 73' ' ' LEU . 1.3 m -82.48 -33.33 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -60.78 -34.87 75.14 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.012 0.434 . . . . 0.0 110.129 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 23.4 mtp180 -60.71 -27.48 67.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.955 176.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -78.89 -44.44 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.669 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.3 mm? -69.32 -21.19 63.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.277 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p -90.65 30.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.138 0.494 . . . . 0.0 109.935 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m 71.55 107.71 0.06 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.918 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.521 HG22 HE22 ' B' ' 97' ' ' GLN . 3.2 t -84.0 -26.1 29.44 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.451 HG13 HG23 ' B' ' 83' ' ' THR . 15.6 m -142.0 -178.73 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.913 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.422 HD22 ' C ' ' B' ' 85' ' ' ASN . 0.2 OUTLIER -132.21 43.56 3.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.903 178.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.99 -84.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.103 -170.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.67 45.33 10.96 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.537 -176.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -72.56 -18.83 61.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.266 0.555 . . . . 0.0 110.9 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 43.8 t -119.47 125.99 50.24 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.664 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.41 -6.19 82.42 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 70.36 -71.21 0.13 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 123.625 0.77 . . . . 0.0 111.79 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 17.9 mmt -68.53 119.86 13.66 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.227 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.2 OUTLIER -84.33 -41.98 16.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.373 -176.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 20.6 p -60.88 -41.4 95.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.938 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.31 -32.13 71.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.494 0.664 . . . . 0.0 110.268 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -37.27 83.04 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.482 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 0.1 OUTLIER -62.07 -35.86 79.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.366 177.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.548 ' O ' HG23 ' B' ' 102' ' ' VAL . 2.6 mptm? -58.99 -43.39 91.47 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.785 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.08 -52.33 66.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -36.86 78.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.779 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.85 -46.03 89.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.398 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 98' ' ' LYS . 92.6 t -60.48 -37.75 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 110.63 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -61.04 -33.64 73.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.531 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 6.8 m-85 -72.27 -44.0 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.593 0.235 . . . . 0.0 110.482 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.1 mm? -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.666 177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.59 -33.41 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 75.9 p -81.2 -11.81 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.988 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 41.5 mt -106.06 -6.63 18.55 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.404 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' B' ' 110' ' ' TYR . 30.5 ttp180 -69.26 158.24 35.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.943 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.54 ' N ' ' HG2' ' B' ' 109' ' ' ARG . 83.2 t80 -50.37 128.83 20.64 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 172.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.69 33.87 41.12 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.83 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.62 -148.72 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.1 pt -112.76 -49.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.075 0.464 . . . . 0.0 111.164 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -121.73 46.49 2.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.5 OUTLIER -80.63 151.24 29.12 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.956 -171.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.32 142.82 49.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.5 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 117' ' ' GLU . 1.3 pm0 -65.74 -26.65 67.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.287 -176.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.587 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -78.32 -44.01 26.37 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.289 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' B' ' 108' ' ' LEU . 43.2 mm -57.58 -41.07 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 31.2 tt0 -56.0 -56.33 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.377 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.54 -28.55 67.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.684 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' B' ' 119' ' ' ILE . 68.5 t80 -55.06 -58.71 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.519 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.1 p -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.711 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 30.4 mm-40 -70.36 -62.49 1.37 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 61.9 mt -57.86 -35.11 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.276 0.56 . . . . 0.0 110.665 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 15' ' ' PHE . 36.1 tp -72.1 -53.64 12.2 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.418 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 127' ' ' LEU . 1.7 pp -65.47 -29.26 69.9 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.15 -51.01 67.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.109 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -77.77 -30.72 51.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.823 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 11' ' ' GLN . 73.3 mt -64.12 -29.77 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.992 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -91.57 -13.71 31.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 0.0 110.772 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -88.14 -4.04 58.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.169 0.509 . . . . 0.0 111.633 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.15 -18.89 6.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.894 0.854 . . . . 0.0 109.591 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -92.0 92.11 8.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.299 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.104 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.44 149.98 27.94 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.428 2.085 . . . . 0.0 111.989 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -82.0 71.51 9.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.777 0.799 . . . . 0.0 110.424 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.0 ptm -104.38 24.01 12.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.977 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.57 177.61 8.36 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.585 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.53 154.03 25.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.224 0.535 . . . . 0.0 110.186 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.28 22.79 2.72 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.636 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.579 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 9.3 pt-20 -63.73 -35.1 79.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.952 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.765 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 42.6 m-80 -60.7 -41.87 96.05 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.358 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m -55.86 -39.85 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.62 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -73.79 -40.31 63.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 178.209 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 83.4 mt -55.85 -48.96 74.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.292 177.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 39.8 mt -53.59 -51.02 64.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.968 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -76.44 -28.65 56.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 19' ' ' LEU . 76.1 t80 -63.64 -54.9 28.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.04 -35.23 63.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.442 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 66.6 ttt180 -62.41 -46.1 90.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.968 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 22' ' ' VAL . 48.8 mt-10 -66.26 -34.77 78.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.091 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 15' ' ' PHE . 6.7 mp -53.81 -58.6 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 110.722 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.34 -21.05 68.11 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.0 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.12 -33.34 59.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.884 0.342 . . . . 0.0 111.349 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG23 ' HG ' ' A' ' 24' ' ' LEU . 16.1 m -97.38 -19.53 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.029 0.442 . . . . 0.0 110.86 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.0 29.85 4.17 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.079 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' HG23 ' A' ' 22' ' ' VAL . 96.5 mt -95.64 0.53 52.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.119 0.485 . . . . 0.0 110.555 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD13 ' HA ' ' B' ' 74' ' ' ALA . 2.2 mt -113.94 -20.74 10.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.081 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.3 135.29 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.636 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.71 174.68 11.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.659 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.02 109.02 2.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.3 mt -83.18 135.92 34.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.463 -172.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -93.12 175.7 6.68 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.22 -41.36 68.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.791 0.329 . . . . 0.0 111.276 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.63 -33.11 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.059 0.457 . . . . 0.0 110.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -79.25 -26.48 42.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.118 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.8 mttt -81.92 -29.36 32.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.365 0.602 . . . . 0.0 109.841 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.426 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 12.9 t70 -66.22 -34.18 77.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.394 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -84.72 -24.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.425 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 59.7 mt -95.29 -54.8 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.665 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -92.96 -30.34 15.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.305 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 78.29 -61.16 3.88 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.373 -175.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.917 -179.554 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.761 0.315 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -123.59 -159.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -80.36 168.24 19.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.25 179.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.92 172.74 6.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.65 175.94 8.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.02 0.438 . . . . 0.0 110.969 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -95.13 -44.86 7.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.345 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 37.6 m -82.39 123.05 28.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.838 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.45 -32.52 74.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.229 -176.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.49 -33.3 73.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.652 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -86.94 -40.91 14.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.24 0.543 . . . . 0.0 110.512 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -54.46 -38.21 66.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.633 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.89 -49.5 62.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.568 HG12 ' HB2' ' B' ' 129' ' ' LYS . 4.8 mp -65.98 -35.22 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 35.9 t80 -61.13 -39.24 89.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.612 0.244 . . . . 0.0 110.872 -176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.334 0.588 . . . . 0.0 110.818 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -78.37 -0.46 29.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.71 -172.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -128.72 83.66 2.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.452 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.76 -18.88 65.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.531 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.582 ' HG3' HG21 ' B' ' 125' ' ' ILE . 8.6 pt-20 -76.91 -22.49 53.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.939 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.86 -35.45 24.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -65.88 -36.54 83.7 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.45 -20.69 60.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 111.087 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.453 ' O ' HG21 ' B' ' 69' ' ' VAL . 91.9 mt -73.79 -23.8 59.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' B' ' 70' ' ' LYS . 35.3 mt -82.32 16.21 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.205 0.526 . . . . 0.0 110.808 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -101.67 10.01 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.263 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.652 ' O ' HG22 ' B' ' 69' ' ' VAL . 59.6 m-85 -109.96 114.62 28.3 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -62.44 -29.37 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.234 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 53.5 m -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' B' ' 118' ' ' ALA . 3.2 m -83.35 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.605 -175.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' B' ' 64' ' ' LEU . 58.0 mtpt -60.56 -38.91 86.07 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.028 0.442 . . . . 0.0 109.812 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.704 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 52.9 t80 -55.97 -52.39 64.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.612 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -71.13 -38.4 72.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 85.3 mt -64.64 -48.97 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 111.066 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -65.4 -23.78 67.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.61 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 51.3 mtpt -63.55 -36.77 84.87 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.699 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -75.11 -34.19 30.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 12.2 t80 -57.78 -41.2 81.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 72.3 mtp180 -58.81 -34.97 72.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.757 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.503 HG23 ' HB ' ' B' ' 83' ' ' THR . 73.6 mt -64.0 -40.43 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.713 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.13 -16.64 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.942 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.95 -50.74 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 172.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 61.3 m -166.4 119.25 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.709 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.503 ' HB ' HG23 ' B' ' 79' ' ' ILE . 6.1 t -87.76 -22.48 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 8.5 m -145.87 -179.28 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.02 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -83.21 24.39 0.8 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.738 0.304 . . . . 0.0 111.475 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -160.77 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.826 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.39 78.34 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.415 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 45.5 m -82.38 129.98 35.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -120.93 -168.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.252 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.57 -60.24 3.53 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.94 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -143.86 19.17 1.81 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.084 0.469 . . . . 0.0 110.749 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 40.8 mtm -104.09 -85.17 0.47 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 3.0 t-20 60.55 -79.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.785 0.678 . . . . 0.0 111.489 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . 0.431 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 5.2 p -60.91 -32.12 71.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 0.0 110.625 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.47 -32.37 69.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.057 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.556 HD12 HD23 ' B' ' 100' ' ' LEU . 0.2 OUTLIER -74.81 -38.2 62.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.468 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.3 mm100 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.815 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.516 ' O ' HG23 ' B' ' 102' ' ' VAL . 5.0 mptp? -54.54 -48.75 71.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.501 173.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.14 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.721 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.556 HD23 HD12 ' B' ' 96' ' ' LEU . 4.6 mm? -61.32 -36.38 79.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.204 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 98' ' ' LYS . 78.0 t -58.28 -38.14 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.779 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.37 -36.77 71.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.72 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.8 m-85 -72.4 -43.22 64.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.849 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.26 -26.97 68.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.553 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.15 -34.77 73.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.214 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 78.3 p -78.48 -16.49 57.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.67 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 59.0 mt -98.58 3.09 47.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.419 HH22 ' NE2' ' B' ' 124' ' ' GLN . 2.0 tpt85 -76.27 160.03 30.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.682 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -64.38 111.67 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.41 40.88 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.032 -175.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.84 -141.1 0.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.302 -0.475 . . . . 0.0 111.948 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 pt -113.52 -43.71 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 122.558 -0.378 . . . . 0.0 111.65 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -131.78 46.03 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 2.5 p90 -72.91 146.76 45.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.143 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.554 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -111.41 139.64 46.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.0 -31.73 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.951 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -77.06 -28.61 54.76 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.474 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.554 HG12 ' HB2' ' B' ' 116' ' ' ASN . 33.1 mm -65.84 -41.75 90.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.1 0.476 . . . . 0.0 109.874 174.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 0.5 OUTLIER -59.78 -54.18 49.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.583 177.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.905 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.08 -58.87 6.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.304 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 7.6 p -61.6 -41.06 96.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 80.2 mm-40 -59.16 -62.31 1.98 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.03 0.206 . . . . 0.0 111.22 -177.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.582 HG21 ' HG3' ' B' ' 59' ' ' GLU . 82.7 mt -55.29 -42.01 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.41 0.624 . . . . 0.0 111.322 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -70.98 -59.4 2.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.464 -175.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 8' ' ' GLU . 1.5 pp -58.21 -31.73 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.42 -49.25 72.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.961 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.568 ' HB2' HG12 ' B' ' 53' ' ' ILE . 56.8 mmtt -77.99 -28.9 49.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.584 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 11' ' ' GLN . 91.7 mt -70.23 -24.49 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 176.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -95.95 -8.44 33.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.85 0.357 . . . . 0.0 110.996 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.84 -6.48 57.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.192 0.52 . . . . 0.0 111.219 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.39 -17.18 7.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.75 0.786 . . . . 0.0 110.477 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -75.63 120.66 21.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.342 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' B' ' 135' ' ' LYS . 11.8 mptt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.719 -0.658 . . . . 0.0 109.905 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.64 50.78 3.5 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.924 2.416 . . . . 0.0 112.182 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 62.14 57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.073 -174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.456 ' SD ' ' HB ' ' B' ' 102' ' ' VAL . 85.1 mtp 66.01 -162.01 0.25 Allowed 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.075 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -80.38 129.77 34.73 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.77 160.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.872 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -117.21 11.6 14.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.497 ' O ' HD13 ' A' ' 12' ' ' LEU . 7.9 pt-20 -64.79 -45.78 84.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.755 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.736 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 p30 -55.0 -31.11 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.455 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -57.88 -30.52 65.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HB3' HD13 ' B' ' 130' ' ' LEU . 14.4 mm100 -84.34 -38.14 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.98 0.419 . . . . 0.0 110.158 176.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 8' ' ' GLU . 10.0 mp -56.45 -49.32 74.95 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.387 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 52.2 mt -53.84 -53.72 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.669 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -37.37 85.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.012 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' HD13 ' A' ' 19' ' ' LEU . 79.3 t80 -60.5 -55.95 27.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.305 177.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.3 mt -59.24 -35.58 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 79.7 ttt180 -64.24 -44.85 90.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' VAL . 67.6 mt-10 -64.66 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.398 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 15' ' ' PHE . 8.0 mp -58.14 -56.83 16.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 175.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.32 -19.71 70.75 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.521 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.66 -37.39 79.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.508 0.194 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 HD13 ' A' ' 24' ' ' LEU . 6.4 m -104.21 -22.54 4.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.81 37.6 1.04 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.027 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 HG23 ' A' ' 22' ' ' VAL . 1.6 mp -96.99 -15.01 21.29 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.555 0.693 . . . . 0.0 110.008 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' B' ' 74' ' ' ALA . 9.5 mt -99.83 -15.11 18.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.878 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.38 125.33 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.039 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' HD1' ' O ' ' A' ' 25' ' ' LEU . 48.8 p90 -140.73 176.97 8.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.982 -176.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.2 135.02 20.03 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.35 135.83 54.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.9 p -84.6 175.29 9.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.833 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.89 -41.27 82.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.32 -50.24 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 42.5 mt-10 -64.4 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.8 -32.42 52.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 110.361 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.052 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.87 -22.67 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.413 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 63.3 mt -93.91 -53.23 4.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.01 -177.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -80.08 -24.94 40.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.58 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.13 6.33 67.87 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.534 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.108 178.743 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -110.08 -171.96 1.94 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 170.18 8.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.574 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.6 p -101.51 166.73 10.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.839 0.352 . . . . 0.0 111.44 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 19' ' ' LEU . 52.9 mt -80.38 178.77 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.852 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HD3' HG13 ' A' ' 22' ' ' VAL . 12.2 mmmm -89.68 -48.7 7.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.31 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -88.19 127.63 35.44 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.028 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.41 -35.22 80.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.82 -20.41 65.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.785 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.16 -44.23 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.224 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.2 t70 -55.96 -35.75 67.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.859 -178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -50.38 -51.04 49.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.355 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.525 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.2 mp -66.8 -39.79 84.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.887 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -61.67 -33.79 74.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.62 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.574 ' NE2' HG22 ' B' ' 44' ' ' THR . 70.0 mm-40 -86.82 -24.19 25.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -104.88 17.02 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.12 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -141.76 99.79 3.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.229 0.538 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.4 -21.88 55.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.28 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' B' ' 125' ' ' ILE . 13.0 pt-20 -80.04 -24.33 40.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.42 -35.46 25.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -65.55 -39.77 92.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.626 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.61 -22.78 62.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.649 0.261 . . . . 0.0 111.595 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.94 -30.23 65.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -82.12 4.41 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.13 -17.75 28.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.093 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -88.87 122.83 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.777 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.14 -26.48 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.2 m -69.89 -36.43 75.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.825 0.822 . . . . 0.0 109.87 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' B' ' 118' ' ' ALA . 87.5 t -75.86 -56.53 8.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.533 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.45 -22.38 66.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.441 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.65 -51.01 71.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.1 0.476 . . . . 0.0 110.638 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -71.29 -28.16 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.135 -175.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.65 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt -74.63 -46.16 40.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.924 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HA ' HD13 ' A' ' 25' ' ' LEU . . . -63.91 -23.24 67.27 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.361 -0.212 . . . . 0.0 111.531 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.555 0.216 . . . . 0.0 110.796 171.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 73' ' ' LEU . 3.2 m -75.09 -27.7 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.46 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.44 -40.01 81.39 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.063 0.459 . . . . 0.0 110.486 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.56 -32.83 74.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.177 0.513 . . . . 0.0 110.068 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -43.26 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.853 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 1.1 mm? -65.49 -10.25 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.017 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.3 m -92.81 -52.16 4.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.244 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 12.6 m -174.25 139.27 0.61 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 122.616 0.367 . . . . 0.0 110.865 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.575 ' HB ' HE22 ' B' ' 97' ' ' GLN . 9.0 t -97.07 -23.34 16.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.254 0.55 . . . . 0.0 109.657 173.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.24 -177.31 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.841 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -127.85 27.9 5.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.032 -177.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.2 -42.69 83.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.772 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.67 -11.84 57.91 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 29.5 m -79.03 116.86 19.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.3 m -152.58 77.7 1.19 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.726 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.0 -75.44 1.13 Allowed Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.227 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -152.97 16.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.678 0.275 . . . . 0.0 111.482 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.24 -29.55 3.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.628 -177.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 2.5 t-20 -59.26 -46.84 87.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.759 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . 0.515 ' O ' ' HD3' ' B' ' 98' ' ' LYS . 40.3 t -66.48 -31.47 72.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 98' ' ' LYS . 14.0 t70 -68.21 -39.7 82.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.102 0.477 . . . . 0.0 109.775 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.0 OUTLIER -71.69 -29.84 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 -179.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 13.1 mm100 -61.91 -37.32 84.19 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.557 ' O ' HG23 ' B' ' 102' ' ' VAL . 4.6 mptp? -55.54 -44.64 76.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 175.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.5 -51.4 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -33.21 73.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.89 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -63.57 -51.09 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.221 176.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 98' ' ' LYS . 40.9 t -61.28 -34.57 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -53.13 -36.26 60.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.407 ' O ' HD23 ' B' ' 108' ' ' LEU . 4.3 m-85 -74.86 -42.11 58.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.389 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.69 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.398 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -101.42 -2.05 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 109.95 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.4 mm? -103.29 -13.68 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.18 152.62 39.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.081 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.41 121.53 3.48 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.72 0.638 . . . . 0.0 110.888 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 91.98 56.87 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.705 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 -170.07 11.9 Favored Glycine 0 N--CA 1.439 -1.105 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.267 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 114' ' ' HIS . 21.5 pt -84.17 -49.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.438 ' N ' HG13 ' B' ' 113' ' ' ILE . 26.3 m80 -127.25 39.77 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -74.87 136.35 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.429 0.633 . . . . 0.0 110.523 -174.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.57 ' HB2' HG12 ' B' ' 119' ' ' ILE . 14.7 m120 -108.16 135.05 50.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.632 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -63.95 -28.04 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . . . -75.28 -22.44 57.77 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.462 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.57 HG12 ' HB2' ' B' ' 116' ' ' ASN . 26.2 mm -76.62 -37.14 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.44 -49.02 78.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.013 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.03 -60.71 2.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.996 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 27.5 p -60.17 -39.97 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.135 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -62.64 -58.35 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' B' ' 59' ' ' GLU . 52.7 mt -59.48 -41.17 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.57 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.82 -60.35 2.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.757 -174.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -34.87 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.802 -175.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.28 -40.15 93.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.68 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.422 ' CB ' HG12 ' B' ' 53' ' ' ILE . 34.9 mmtp -77.14 -30.5 55.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.636 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 11' ' ' GLN . 62.3 mt -73.81 -22.18 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.829 0.347 . . . . 0.0 111.214 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -85.94 -17.12 36.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.102 0.477 . . . . 0.0 110.149 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -90.12 0.37 57.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.811 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.15 -23.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.075 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 130' ' ' LEU . 40.3 mtmt -87.57 101.68 13.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.564 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.905 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.59 137.52 33.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.615 2.21 . . . . 0.0 112.155 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -74.08 76.12 1.74 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.376 0.607 . . . . 0.0 110.926 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.3 mtm -74.38 139.79 44.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.814 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -66.22 129.08 38.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.15 167.16 10.39 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.028 -174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -125.06 13.06 8.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.603 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -58.03 -46.42 85.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.243 -179.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.785 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.9 p30 -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.571 0.224 . . . . 0.0 110.924 177.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -66.77 -31.66 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.205 0.526 . . . . 0.0 110.122 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' B' ' 130' ' ' LEU . 11.5 mm100 -76.6 -43.31 39.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.527 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 8' ' ' GLU . 7.4 mp -50.2 -54.56 20.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.825 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 45.2 mt -54.27 -50.78 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.907 -172.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 2.3 t70 -76.73 -27.12 55.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.438 -174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 68.8 t80 -62.62 -52.69 62.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.128 0.49 . . . . 0.0 109.935 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.17 -39.34 72.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.222 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' B' ' 77' ' ' TYR . 40.5 ttt180 -61.73 -43.89 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.766 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 57.7 mt-10 -61.83 -39.03 90.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 mt -57.49 -47.5 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.163 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.79 -24.41 76.35 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.652 -0.703 . . . . 0.0 113.236 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.17 -30.83 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.429 0.615 . . . . 0.0 111.243 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' HG ' ' A' ' 24' ' ' LEU . 17.4 m -101.79 -11.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.361 . . . . 0.0 111.539 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.47 37.4 5.59 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.057 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' HG23 ' A' ' 22' ' ' VAL . 94.7 mt -103.26 -23.72 13.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.354 0.597 . . . . 0.0 109.931 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 73' ' ' LEU . 66.5 tp -92.08 -11.4 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.802 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.11 144.03 55.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.42 175.19 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.157 0.503 . . . . 0.0 111.495 -174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -147.69 127.38 13.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.265 -0.879 . . . . 0.0 108.711 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 73.9 mt -108.3 133.66 52.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.955 0.407 . . . . 0.0 111.986 -173.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 175.25 7.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.391 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -56.87 -41.44 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.419 . . . . 0.0 110.66 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.22 -43.2 95.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.696 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.596 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 6.1 mm-40 -67.88 -32.32 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.327 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 98.7 mttt -73.48 -30.4 63.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.328 0.585 . . . . 0.0 109.739 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.15 -34.87 68.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.078 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -84.47 -25.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.626 0.25 . . . . 0.0 111.373 -177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 69.7 mt -94.3 -48.95 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.627 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -83.27 -17.68 41.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.315 0.579 . . . . 0.0 110.061 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.18 -0.36 89.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.196 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.498 177.178 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.98 0.419 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.512 HD22 ' N ' ' B' ' 42' ' ' ASN . 0.8 OUTLIER -95.04 -161.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.03 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.665 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -83.14 161.96 21.44 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.43 HG22 ' NE2' ' B' ' 55' ' ' GLN . 4.2 p -108.52 165.52 11.47 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.545 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 19' ' ' LEU . 42.9 mt -77.1 179.77 6.08 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.247 0.546 . . . . 0.0 111.954 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -86.36 -41.81 14.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -99.31 129.94 45.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.976 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.38 -31.89 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.871 0.367 . . . . 0.0 110.686 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.24 63.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -98.99 -44.91 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.153 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' B' ' 45' ' ' LEU . 37.9 t70 -55.63 -36.01 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.457 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.88 -46.95 64.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.472 ' H ' HD12 ' B' ' 53' ' ' ILE . 5.1 mp -70.34 -41.3 78.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.881 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.489 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 89.7 t80 -59.45 -37.86 79.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.894 0.378 . . . . 0.0 110.944 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 63.8 mm-40 -81.11 -21.04 40.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -113.85 31.99 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.405 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -147.49 102.8 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.063 0.458 . . . . 0.0 110.53 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.61 -32.22 57.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.381 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 62' ' ' GLU . 12.6 mm-40 -66.77 -36.17 81.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.314 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.53 -28.51 61.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.86 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' B' ' 65' ' ' LYS . 6.6 tp-100 -78.34 -36.63 46.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.569 -178.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 20.1 pt-20 -62.83 -29.41 70.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.025 0.441 . . . . 0.0 110.346 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.38 -38.2 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.19 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.12 5.4 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.535 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 61' ' ' GLN . 30.4 mmmt -97.38 -14.52 21.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.106 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -83.8 132.8 34.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -67.96 -27.19 66.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 37' ' ' LEU . 80.0 m -74.98 -34.4 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.499 0.666 . . . . 0.0 110.259 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.419 HG13 HD13 ' B' ' 119' ' ' ILE . 92.0 t -71.69 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.115 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -55.25 -36.8 66.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.73 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.529 ' CG ' HD13 ' A' ' 37' ' ' LEU . 54.6 t80 -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.302 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -71.5 -35.98 70.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.131 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.647 ' O ' HG22 ' B' ' 76' ' ' VAL . 86.8 mt -72.0 -33.4 68.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.671 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -65.72 -31.41 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.797 0.332 . . . . 0.0 110.623 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 56.7 mtpt -65.23 -29.66 70.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.647 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.3 m -83.54 -31.3 8.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.601 -0.44 . . . . 0.0 109.832 177.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 15.1 t80 -59.56 -38.57 81.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.046 0.451 . . . . 0.0 110.141 176.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 93.4 mtt180 -59.72 -32.09 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.327 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 69.5 mt -71.17 -54.43 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.544 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -59.74 -23.94 63.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.681 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -76.71 -52.18 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.987 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -177.4 111.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.513 0.508 . . . . 0.0 110.571 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.612 ' HB ' HE22 ' B' ' 97' ' ' GLN . 6.3 t -87.39 -33.89 18.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.653 ' C ' HD22 ' B' ' 85' ' ' ASN . 14.2 m -143.78 152.5 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.111 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.653 HD22 ' C ' ' B' ' 84' ' ' VAL . 0.9 OUTLIER -128.23 30.73 5.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.45 -37.73 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.078 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.31 -16.94 8.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.549 175.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -67.62 119.48 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.16 0.48 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -147.65 35.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.75 -44.52 96.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.753 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -97.86 23.35 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.578 ' HG3' ' H ' ' B' ' 95' ' ' ASP . 17.9 tpp 64.59 125.09 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 122.9 1.334 . . . . 0.0 112.432 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.564 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 2.5 t-20 -67.52 -39.51 85.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.235 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 15.3 t -64.01 -36.59 84.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.049 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.578 ' H ' ' HG3' ' B' ' 92' ' ' MET . 24.8 t70 -65.38 -36.31 83.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.407 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 0.6 OUTLIER -72.39 -31.17 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.18 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.612 HE22 ' HB ' ' B' ' 83' ' ' THR . 0.0 OUTLIER -63.94 -39.77 94.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.588 177.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.558 ' O ' HG23 ' B' ' 102' ' ' VAL . 12.9 mptt -55.25 -48.1 74.45 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.366 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.35 -54.09 50.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.96 -37.48 76.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.566 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -65.19 -48.49 73.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 98' ' ' LYS . 48.0 t -63.48 -32.71 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 0.0 110.709 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -54.21 -35.11 62.04 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.633 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 4.1 m-85 -73.65 -46.41 46.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.5 mm? -60.19 -33.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.47 -37.11 86.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.89 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 59.2 p -81.6 -5.51 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.998 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 84.4 mt -104.07 -9.33 18.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.671 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.88 170.19 9.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -48.08 131.72 15.77 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.299 0.571 . . . . 0.0 111.872 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.56 45.52 7.3 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.212 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.02 -166.56 12.4 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.593 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 14.9 pt -95.43 -44.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.903 0.382 . . . . 0.0 111.407 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -126.12 40.38 3.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -78.92 143.44 35.83 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.068 -170.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -134.04 132.89 40.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.105 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.49 -23.97 67.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.666 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.5 65.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' B' ' 108' ' ' LEU . 29.6 mm -75.44 -39.07 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.34 -45.85 86.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.952 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -44.45 94.25 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.207 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -51.75 -54.47 28.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.187 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.31 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.558 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 80.1 mm-40 -66.36 -51.92 52.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.257 -171.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.11 -39.43 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.179 0.514 . . . . 0.0 110.926 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.468 HD13 HD12 ' B' ' 130' ' ' LEU . 1.1 tm? -70.45 -58.4 3.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.998 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 12' ' ' LEU . 2.5 pp -59.35 -31.1 68.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.505 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 16.8 t70 -54.79 -48.92 72.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.801 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.468 ' HB2' HG12 ' B' ' 53' ' ' ILE . 61.0 mmtt -80.09 -27.82 39.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.951 -175.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 11' ' ' GLN . 90.9 mt -70.43 -35.03 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.632 176.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -81.73 -9.37 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.077 0.465 . . . . 0.0 110.267 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -96.03 2.23 53.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.291 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 5.7 p -117.02 -38.12 2.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -78.68 115.94 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 110.686 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.46 ' HD2' ' H ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.268 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.63 115.27 2.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.611 2.207 . . . . 0.0 111.928 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -83.43 84.78 7.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.424 0.63 . . . . 0.0 109.981 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptm -91.45 29.09 1.54 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.849 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.58 157.92 45.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -171.47 153.09 3.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -140.81 19.37 2.32 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.594 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -61.7 -33.58 74.26 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 169.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.3 p30 -59.14 -28.52 66.65 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.103 -175.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 m -52.29 -36.69 53.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 110.761 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' B' ' 130' ' ' LEU . 15.8 mm100 -83.88 -38.29 21.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 8' ' ' GLU . 8.9 mp -57.9 -47.63 82.25 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.011 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 71.4 mt -55.83 -49.64 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.262 -173.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 8.3 m-20 -66.0 -36.44 83.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 t80 -62.03 -54.0 47.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.722 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 19' ' ' LEU . 68.7 mt -59.95 -37.9 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 0.0 110.433 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 72.1 ttt180 -62.17 -47.45 84.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.758 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 14' ' ' ASP . 52.9 mt-10 -63.27 -31.92 73.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 81.6 mt -57.7 -51.57 69.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.066 0.46 . . . . 0.0 110.008 176.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.82 -26.08 74.63 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.215 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -68.6 -37.25 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.217 0.509 . . . . 0.0 111.389 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 18' ' ' GLU . 26.1 m -99.01 -20.51 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.324 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 26' ' ' GLU . . . 103.61 38.08 2.86 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.012 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -107.87 -10.61 15.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.403 0.62 . . . . 0.0 110.492 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 74' ' ' ALA . 60.1 tp -97.38 -2.24 42.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.666 171.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 6.2 pt-20 -53.77 141.67 26.08 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.501 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -150.69 167.34 27.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.352 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -153.98 114.49 3.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.487 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 56.0 mt -93.15 133.11 36.67 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.117 -172.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -96.93 179.53 4.91 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.39 -38.51 71.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 0.0 110.698 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -66.08 -42.77 88.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 15.4 mm-40 -71.65 -33.73 69.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.158 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 29' ' ' LEU . 99.1 mttt -79.73 -22.03 43.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 23.9 t70 -72.73 -32.83 66.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.931 -177.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -84.33 -26.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.918 0.39 . . . . 0.0 111.118 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 56.6 mt -93.9 -55.3 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.274 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -92.4 -25.07 18.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.241 0.543 . . . . 0.0 110.67 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' ' 35' ' ' ASP . . . 80.07 14.72 80.2 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.07 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.3 -176.369 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.238 0.542 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -123.23 160.12 27.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.87 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.418 ' HE2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -62.64 160.48 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.542 0.687 . . . . 0.0 111.213 176.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.5 HG22 ' NE2' ' B' ' 55' ' ' GLN . 1.7 p -112.5 178.09 4.42 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.304 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.515 HD21 HD23 ' A' ' 19' ' ' LEU . 50.7 mt -75.73 -176.48 3.34 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.413 ' HD3' ' HG2' ' A' ' 18' ' ' GLU . 35.5 mtpt -92.34 -46.42 7.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.317 0.579 . . . . 0.0 109.943 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -89.08 126.52 35.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 174.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -67.76 -33.45 74.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.811 0.338 . . . . 0.0 110.717 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.855 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -92.26 -45.95 7.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.16 0.505 . . . . 0.0 109.967 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 34.4 t70 -55.14 -35.43 64.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.109 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -53.41 -48.48 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.37 -41.75 89.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 0.0 110.827 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -58.39 -35.77 72.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.726 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 65.1 mm-40 -86.23 -17.19 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -113.81 28.97 8.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -147.0 90.53 1.91 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.05 0.452 . . . . 0.0 111.074 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.29 80.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.671 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 28.7 mt-10 -65.03 -45.35 85.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.068 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.55 -34.81 79.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.688 ' HA ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -70.64 -40.13 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.828 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 11.9 pt-20 -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.07 0.462 . . . . 0.0 110.88 -174.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 59' ' ' GLU . 44.9 mt -74.18 -33.06 63.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.301 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.578 ' O ' ' HD3' ' B' ' 70' ' ' LYS . 33.0 mt -77.78 17.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -104.17 -5.64 21.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.571 ' O ' HG22 ' B' ' 69' ' ' VAL . 94.4 m-85 -93.84 118.29 31.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 83.5 m-20 -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.5 m -59.01 -39.05 80.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 111.422 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' B' ' 118' ' ' ALA . 2.8 m -83.33 -40.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' B' ' 64' ' ' LEU . 57.8 mtmt -62.62 -36.76 83.81 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.26 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.565 ' O ' ' HG3' ' B' ' 75' ' ' LYS . 50.6 t80 -55.17 -49.62 71.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.79 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -69.63 -38.31 77.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.131 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.8 mt -68.19 -36.87 80.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -68.01 -26.14 65.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 71' ' ' PHE . 58.9 mtpt -66.67 -32.02 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.665 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.0 m -79.32 -31.66 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.728 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -60.39 -36.91 79.21 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.285 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 21.2 mtm180 -59.19 -34.11 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.212 0.53 . . . . 0.0 110.144 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -72.43 -46.38 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.262 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.1 mm? -68.54 -10.95 59.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.201 0.524 . . . . 0.0 110.464 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t -85.27 5.8 28.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.757 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . 0.442 ' HA ' ' HG3' ' B' ' 97' ' ' GLN . 52.5 m 73.6 141.65 0.06 Allowed 'General case' 0 C--N 1.34 0.181 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.532 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.6 t -72.86 -15.62 61.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 m -134.23 175.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.993 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -98.94 23.59 8.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.195 0.522 . . . . 0.0 110.744 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -105.43 -52.0 2.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.339 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' B' ' 88' ' ' SER . . . 80.2 -2.95 74.1 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 115.779 -0.646 . . . . 0.0 113.097 174.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' B' ' 87' ' ' GLY . 31.4 t 71.71 144.17 0.06 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.694 0.759 . . . . 0.0 111.359 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.9 p -97.21 -3.85 40.1 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.713 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.07 4.44 31.79 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.974 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 59.35 33.14 22.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 114.924 -0.638 . . . . 0.0 111.773 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 76.3 mmm -95.48 -50.15 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.675 ' O ' ' HG ' ' B' ' 96' ' ' LEU . 2.9 t-20 -55.27 -47.63 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 11.4 p -67.57 -27.28 66.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.141 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.538 ' HA ' ' HD3' ' B' ' 98' ' ' LYS . 29.2 t70 -80.69 -32.97 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.687 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' B' ' 93' ' ' ASN . 1.9 pp -70.52 -26.76 63.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.636 ' HG2' ' O ' ' B' ' 93' ' ' ASN . 14.9 mm100 -58.24 -34.34 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.426 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.62 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -59.08 -44.47 91.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.82 -47.9 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.46 -33.08 74.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.82 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.071 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 98' ' ' LYS . 59.8 t -60.23 -36.24 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.547 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -57.12 -30.04 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.274 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.637 ' O ' ' HG ' ' B' ' 108' ' ' LEU . 3.4 m-85 -79.54 -40.06 30.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.603 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.5 -29.62 67.3 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.799 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -69.37 -34.12 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.377 . . . . 0.0 110.715 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 45.0 p -81.69 -14.38 56.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.439 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 104' ' ' TYR . 79.6 mt -95.5 -2.88 47.74 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.007 174.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -89.67 164.7 14.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.156 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.588 ' HB2' ' OE2' ' B' ' 120' ' ' GLU . 49.1 t80 -49.38 132.55 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 111.466 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.36 72.3 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.729 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.89 -152.45 22.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.281 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 pt -115.47 -33.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 0.0 111.267 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -130.79 39.39 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.572 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.1 OUTLIER -76.0 139.09 41.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.352 0.596 . . . . 0.0 110.509 -174.271 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -118.39 144.74 45.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.779 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.81 72.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.081 -176.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' B' ' 69' ' ' VAL . . . -84.09 -29.77 26.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 108' ' ' LEU . 41.3 mm -64.38 -43.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.64 176.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.588 ' OE2' ' HB2' ' B' ' 110' ' ' TYR . 19.4 mt-10 -61.93 -48.68 79.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.695 176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.96 -41.73 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -55.39 -61.74 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.442 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . 0.474 ' HB2' HD21 ' A' ' 12' ' ' LEU . 26.2 p -59.73 -41.12 90.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.239 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 84.1 mm-40 -70.1 -46.1 65.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 -174.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.81 -35.65 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.555 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.507 HD13 HD12 ' B' ' 130' ' ' LEU . 1.2 tm? -68.98 -59.78 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.057 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 1.9 pp -57.42 -30.54 65.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 14.8 t70 -54.25 -51.28 65.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.122 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -81.22 -31.33 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.697 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.507 HD12 HD13 ' B' ' 126' ' ' LEU . 13.7 mt -68.28 -33.43 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -91.47 -1.85 57.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.852 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.56 -1.27 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.56 -24.61 3.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.466 0.65 . . . . 0.0 109.75 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -74.09 103.5 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.716 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.819 178.288 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.4 112.93 2.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.436 2.09 . . . . 0.0 111.787 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -72.37 74.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.434 0.635 . . . . 0.0 111.164 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 mtm -81.73 147.18 29.6 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.753 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -95.87 142.28 28.32 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' C ' HD22 ' A' ' 7' ' ' ASN . . . -106.88 96.27 6.32 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.25 0.547 . . . . 0.0 110.164 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.462 HD22 ' C ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -111.92 7.95 20.16 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.906 -176.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.8 pm0 -59.98 -34.21 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.19 0.519 . . . . 0.0 109.74 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.746 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 p30 -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.106 178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 t -59.49 -38.61 81.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.084 0.468 . . . . 0.0 109.775 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HB3' HD13 ' B' ' 130' ' ' LEU . 16.1 mm100 -72.59 -37.04 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.088 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 8' ' ' GLU . 90.9 mt -56.72 -52.68 64.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 173.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 9' ' ' ASN . 63.5 mt -57.48 -45.96 84.26 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.171 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.89 -36.23 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.342 -176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CD1' HD21 ' B' ' 126' ' ' LEU . 62.3 t80 -69.77 -52.77 22.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.627 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 19' ' ' LEU . 83.9 mt -54.73 -39.64 48.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.592 0.71 . . . . 0.0 110.414 177.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.522 ' HD2' ' HB3' ' B' ' 80' ' ' LEU . 68.7 ttt180 -61.63 -45.6 93.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.315 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.73 -28.79 69.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.592 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 45' ' ' LEU . 47.6 mt -62.91 -52.02 64.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.364 0.602 . . . . 0.0 110.145 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.76 -20.94 74.69 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.702 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.38 -38.36 74.71 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.16 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HD3' ' B' ' 46' ' ' LYS . 5.6 m -98.14 -19.82 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 111.349 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.45 38.11 2.89 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.82 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.9 mt -97.54 -27.45 14.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 110.127 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' B' ' 73' ' ' LEU . 50.4 tp -86.96 -17.07 33.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.71 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.35 142.42 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HE2' ' CB ' ' B' ' 74' ' ' ALA . 49.0 p90 -143.69 178.73 7.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 -171.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.21 133.78 23.48 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.39 139.31 51.03 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.969 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 p -92.34 171.22 9.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.779 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -56.31 -38.06 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.87 0.367 . . . . 0.0 111.304 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -67.37 -40.44 85.75 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.313 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 44.6 mt-10 -72.81 -28.73 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.64 -26.55 57.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.017 0.437 . . . . 0.0 110.257 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.99 -35.23 76.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.078 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -84.22 -23.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.91 0.385 . . . . 0.0 111.263 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 33' ' ' GLU . 67.3 mt -93.61 -52.47 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.182 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -81.1 -24.46 37.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.991 0.424 . . . . 0.0 110.508 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.17 2.52 70.07 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.5 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.591 -0.719 . . . . 0.0 110.071 179.094 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -132.81 -163.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.634 ' HD2' ' H ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -82.47 171.69 13.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.362 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.11 167.55 10.58 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.057 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 19' ' ' LEU . 39.1 mt -76.12 177.94 6.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 111.451 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.466 ' HD3' HG13 ' A' ' 22' ' ' VAL . 13.4 mmmm -84.91 -55.19 4.2 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.6 m -84.82 126.44 33.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.127 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -62.93 -35.23 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.405 ' O ' HD12 ' B' ' 53' ' ' ILE . . . -60.88 -36.43 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.627 177.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.11 -43.87 20.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.842 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 36.8 t70 -56.66 -34.88 67.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.092 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.38 -52.68 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.223 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' B' ' 129' ' ' LYS . 3.4 mp -67.09 -40.99 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.888 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.87 -36.97 73.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.052 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 72.1 mm-40 -83.26 -19.87 35.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.994 0.426 . . . . 0.0 110.457 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -110.77 30.57 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -146.13 85.72 1.68 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.219 0.533 . . . . 0.0 111.181 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.7 67.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 59' ' ' GLU . 1.4 pm0 -77.7 -20.33 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 tp -85.54 -45.91 11.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -56.09 -28.94 59.7 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.942 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 10.3 pt-20 -74.45 -24.06 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.693 -177.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.56 -33.44 47.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.037 0.446 . . . . 0.0 110.162 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.76 11.06 2.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.346 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.62 -9.38 23.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 109.883 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' B' ' 70' ' ' LYS . 90.2 m-85 -88.59 122.53 32.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.565 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.31 -23.46 67.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.928 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -67.24 -48.26 68.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' B' ' 119' ' ' ILE . 55.8 t -60.12 -57.84 9.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.769 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 66' ' ' TYR . 24.3 mtpp -53.11 -37.14 61.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.375 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -63.07 -53.02 60.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.227 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -65.4 -36.01 82.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.975 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.64 ' O ' HG22 ' B' ' 76' ' ' VAL . 87.1 mt -73.26 -33.23 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 78' ' ' ARG . . . -66.52 -32.43 73.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 0.0 110.774 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -62.81 -31.95 73.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.031 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.64 HG22 ' O ' ' B' ' 73' ' ' LEU . 2.8 m -83.29 -30.8 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 17' ' ' ARG . 20.4 t80 -60.37 -36.34 77.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' B' ' 74' ' ' ALA . 97.3 mtt180 -58.46 -34.3 70.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.308 0.575 . . . . 0.0 110.563 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -71.62 -46.41 62.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.01 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.522 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 2.0 mm? -71.18 -15.77 62.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -90.99 18.4 6.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.5 m 72.87 126.06 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.343 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -63.01 -24.43 67.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.372 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 9.7 m -127.88 149.24 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.846 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -85.36 35.33 0.59 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.277 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -105.1 -79.39 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.69 83.44 1.46 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.407 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.4 p -85.49 149.65 25.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.671 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 16.7 m -104.29 153.11 21.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.95 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.39 -57.37 4.89 Favored Glycine 0 C--N 1.33 0.22 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -86.0 81.28 8.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' MET . . . . . 0.404 ' HG3' ' H ' ' B' ' 92' ' ' MET . 52.6 mtp -42.79 120.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.344 -174.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASN . . . . . 0.546 ' HA ' HD23 ' B' ' 96' ' ' LEU . 2.9 t-20 -105.13 -54.75 2.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.798 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 10.8 p -59.74 -35.33 74.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.651 -175.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.86 -25.56 62.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.736 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' B' ' 93' ' ' ASN . 0.8 OUTLIER -79.04 -28.19 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.24 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.57 ' HA ' HE21 ' B' ' 97' ' ' GLN . 0.1 OUTLIER -65.11 -30.49 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.755 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.572 ' O ' HG23 ' B' ' 102' ' ' VAL . 1.8 mptm? -58.06 -38.99 77.35 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.901 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.15 -55.83 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 110.037 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.87 -36.31 74.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.659 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.49 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -62.28 -49.49 75.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.722 178.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 98' ' ' LYS . 61.0 t -61.91 -36.19 72.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.953 0.406 . . . . 0.0 110.531 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.14 -29.6 65.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.101 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.3 -48.49 19.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.898 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.2 mm? -62.26 -25.29 67.75 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.005 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.73 -14.24 62.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.521 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 39.2 p -97.93 -10.85 23.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.205 0.526 . . . . 0.0 109.657 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' B' ' 119' ' ' ILE . 4.3 mm? -100.11 -23.14 14.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.094 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -72.6 149.7 43.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.091 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -46.3 110.99 0.32 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.732 0.645 . . . . 0.0 111.443 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.61 -10.81 11.32 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.49 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.11 -173.81 46.4 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.778 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 23.2 pt -82.25 -41.65 18.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.951 -173.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -121.7 45.42 2.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . 0.493 ' HA ' ' HA ' ' B' ' 108' ' ' LEU . 0.8 OUTLIER -74.95 148.29 40.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.588 -174.427 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.528 ' HB2' HG12 ' B' ' 119' ' ' ILE . 13.6 m120 -126.51 138.93 53.55 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.281 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.44 -23.66 63.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.365 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.85 65.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.682 HG21 ' HB3' ' B' ' 108' ' ' LEU . 23.7 mm -75.23 -39.14 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 124' ' ' GLN . 14.4 tp10 -60.18 -51.36 69.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.208 176.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.44 -40.39 90.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.473 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.73 -56.09 20.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 62.0 m -55.16 -50.21 69.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.535 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 128' ' ' ASP . 77.6 mm-40 -64.44 -57.08 10.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.732 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 74.7 mt -57.44 -41.02 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.928 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -69.83 -61.08 1.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.122 -177.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.404 ' C ' HD12 ' B' ' 127' ' ' LEU . 2.5 pp -60.51 -28.28 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.633 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' B' ' 124' ' ' GLN . 20.6 t70 -57.49 -47.26 82.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 0.0 110.551 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' B' ' 53' ' ' ILE . 53.5 mmtt -77.81 -28.71 50.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.276 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 11' ' ' GLN . 89.4 mt -69.41 -32.92 72.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.642 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.429 ' HA ' ' HG2' ' B' ' 134' ' ' LYS . 45.0 m-80 -85.84 -10.47 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.034 0.445 . . . . 0.0 110.435 176.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -91.23 -7.81 50.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.237 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.51 -29.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.915 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' B' ' 131' ' ' ASN . 0.0 OUTLIER -67.51 128.12 35.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.835 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' B' ' 135' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.503 -0.76 . . . . 0.0 109.814 177.013 . . . . . . . . 2 2 . 1 stop_ save_