data_2kl5_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 2kl5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.51 0 N-CA-C 111.604 -0.598 . . . . 70.43 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.1 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 64.32 108.596 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.497 HD11 HD21 ' A' ' 22' ' ' LEU . 54.7 mt -140.64 82.42 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.195 -1.039 . . . . 75.04 108.195 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.555 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.36 122.32 35.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.289 -0.869 . . . . 72.32 110.532 -176.456 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 HG13 HD22 ' A' ' 97' ' ' LEU . 17.7 mm -107.7 108.61 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.763 -0.653 . . . . 75.34 110.098 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.86 115.31 30.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.03 -0.359 . . . . 75.51 110.03 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.541 HG12 ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -141.26 142.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.272 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.541 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 53.95 33.42 17.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.8 0.333 . . . . 73.32 110.861 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.52 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 2.5 m-20 64.26 27.47 13.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.731 -0.668 . . . . 73.13 111.045 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.66 132.02 56.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.947 -0.57 . . . . 64.22 109.662 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -94.17 123.98 37.9 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.873 -0.417 . . . . 72.44 109.873 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HZ ' ' HH ' ' A' ' 39' ' ' TYR . 98.3 m-85 -123.52 160.45 26.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.718 0.294 . . . . 75.25 110.451 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -133.82 129.75 36.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.088 -0.505 . . . . 75.5 109.675 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 11' ' ' ILE . 64.8 tp -74.17 101.7 4.04 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.474 -0.565 . . . . 70.44 109.474 175.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -87.89 -36.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 74.32 111.439 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.1 133.77 30.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.34 -0.244 . . . . 71.01 110.34 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -143.57 128.8 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 75.32 109.759 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -124.66 133.39 53.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 72.51 110.313 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 64.53 20.6 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.314 -0.857 . . . . 73.22 110.26 173.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 57.32 37.12 27.97 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.535 -0.757 . . . . 73.31 110.42 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.99 -16.01 70.09 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.571 -0.74 . . . . 73.44 112.26 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.95 97.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 74.45 111.331 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -107.69 112.36 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.693 -0.854 . . . . 60.22 108.693 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.4 -51.63 68.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.267 0.469 . . . . 74.15 112.267 -170.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.88 -40.16 91.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.976 -0.29 . . . . 55.34 110.634 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.68 85.16 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.352 -0.386 . . . . 73.14 110.257 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 59.9 t80 -55.98 -57.24 12.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.825 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HB2' HD11 ' A' ' 15' ' ' ILE . 14.2 ptmm? -67.99 -19.77 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 74.04 111.329 -174.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.21 34.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 75.33 110.535 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -90.73 -14.47 32.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 70.42 110.75 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.404 ' HH ' ' HZ ' ' A' ' 20' ' ' PHE . 80.6 t80 -64.22 155.07 33.01 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.86 -0.609 . . . . 73.54 111.232 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -149.33 148.43 29.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.168 -0.679 . . . . 73.01 109.168 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.28 -37.43 74.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.704 0.402 . . . . 64.5 112.044 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.09 -24.78 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.065 0.459 . . . . 75.35 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HB3' HD12 ' A' ' 49' ' ' ILE . 89.2 mt -71.14 -27.41 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 73.52 111.387 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -57.91 -21.51 43.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.175 0.512 . . . . 73.54 110.62 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 74.02 112.091 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.3 -24.94 57.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.257 0.836 . . . . 74.12 113.257 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 22.5 t70 72.41 -0.11 3.4 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.197 0.522 . . . . 75.42 110.744 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -149.35 119.12 7.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.998 -0.547 . . . . 73.41 109.945 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.6 mm -112.81 114.53 47.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.828 0.346 . . . . 74.42 110.082 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.5 t -101.96 127.43 55.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.623 -0.51 . . . . 75.12 109.623 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -118.38 120.05 4.58 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.873 -0.68 . . . . 63.01 111.474 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.11 150.81 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.844 0.354 . . . . 74.1 110.06 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -97.37 27.05 4.42 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.017 -0.538 . . . . 75.04 110.367 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.75 135.72 33.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.23 -0.748 . . . . 38.04 111.23 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.7 t80 70.66 11.5 7.24 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.335 0.588 . . . . 74.21 110.058 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 -49.59 4.14 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.036 -0.529 . . . . 64.34 112.622 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.78 116.23 15.26 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.959 -0.386 . . . . 71.54 109.959 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.49 123.42 13.9 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.48 0.487 . . . . 75.13 110.179 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.556 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 18.6 mmm180 -107.39 129.12 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.51 109.839 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.08 102.52 12.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.541 -0.911 . . . . 63.35 108.541 168.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -114.77 126.77 55.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.162 -0.681 . . . . 75.15 109.162 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.02 146.23 18.04 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.013 -0.613 . . . . 60.1 112.648 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -124.58 169.46 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.223 -0.658 . . . . 74.3 109.223 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -103.41 163.14 12.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.678 -0.49 . . . . 64.54 109.678 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.28 109.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.679 0.752 . . . . 71.41 111.359 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.481 ' HB2' HG23 ' A' ' 77' ' ' ILE . 13.7 t70 . . . . . 0 C--O 1.236 0.359 0 CA-C-N 114.963 -1.017 . . . . 74.43 110.913 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.949 0.722 . . . . 75.11 112.949 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -90.1 129.94 36.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.121 0.486 . . . . 74.15 110.978 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 66' ' ' ASP . 44.3 mt -114.88 107.47 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.587 -0.894 . . . . 74.34 108.587 173.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -64.29 -33.26 75.43 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.704 0.288 . . . . 63.15 111.721 -172.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -77.68 -11.21 59.85 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.101 0.477 . . . . 71.12 111.111 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 54.2 tp -69.59 -42.13 74.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.496 -176.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.57 -49.88 61.2 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.976 -0.557 . . . . 70.24 111.438 -175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.92 -34.77 78.5 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.773 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.64 -53.54 54.87 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.014 -0.539 . . . . 74.31 110.479 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 88' ' ' CYS . 42.1 mm -57.43 -41.28 78.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.803 -0.635 . . . . 75.24 110.436 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.92 -35.23 74.45 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.631 . . . . 73.14 111.082 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.76 -37.2 79.19 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.281 -0.418 . . . . 75.3 111.16 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.03 -75.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 73.31 111.015 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' A' ' 84' ' ' ILE . 34.3 t -88.24 71.29 9.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.35 0.595 . . . . 65.24 110.316 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.67 170.54 16.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.684 -0.689 . . . . 74.13 109.562 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -43.92 121.21 2.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.846 0.459 . . . . 65.31 111.068 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.69 51.5 1.19 Allowed Glycine 0 C--N 1.33 0.218 0 N-CA-C 110.512 -1.035 . . . . 73.12 110.512 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 93' ' ' ALA . 32.7 t -165.25 -174.21 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.204 -0.665 . . . . 60.1 109.204 -173.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -144.02 143.64 31.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.55 -0.167 . . . . 75.54 110.55 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -157.8 165.72 34.59 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.989 0.423 . . . . 74.14 110.444 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.93 155.11 38.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 74.53 109.544 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.18 123.79 51.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 120.666 0.269 . . . . 64.42 110.626 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD22 HG13 ' A' ' 13' ' ' ILE . 10.3 mp -108.22 136.77 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 63.1 110.239 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -107.31 131.45 54.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.782 -0.644 . . . . 73.32 109.899 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.484 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 7.6 tmm_? -85.81 126.65 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.829 -0.804 . . . . 64.21 108.829 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.515 HG23 ' HG2' ' A' ' 102' ' ' LYS . 26.6 mm -80.23 149.16 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 72.04 111.188 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -75.9 35.71 0.13 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.877 -0.601 . . . . 64.4 111.53 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.515 ' HG2' HG23 ' A' ' 100' ' ' ILE . 23.6 pttp -171.63 176.82 3.6 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 109.312 -0.625 . . . . 71.42 109.312 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.2 tm? . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.434 -0.58 . . . . 72.31 109.434 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.334 0 N-CA-C 112.388 -0.285 . . . . 70.34 112.388 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -73.78 -52.4 13.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.86 0.362 . . . . 54.52 110.692 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.5 mt -115.44 92.42 2.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.228 0.537 . . . . 74.14 110.039 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -101.36 131.55 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.091 -0.959 . . . . 73.23 110.183 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.472 HG13 HD22 ' A' ' 97' ' ' LEU . 22.8 mm -113.66 115.0 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 74.35 110.069 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mp -105.52 117.89 35.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.481 -0.327 . . . . 74.03 110.342 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.564 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.4 tt -150.09 132.71 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.295 -0.411 . . . . 74.34 110.784 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.564 ' HG2' HG12 ' A' ' 15' ' ' ILE . 13.8 mm100 53.44 38.05 27.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.823 0.449 . . . . 75.32 111.621 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.34 23.51 12.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.385 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.18 138.73 52.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.435 -0.58 . . . . 75.52 109.435 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 103' ' ' LEU . 23.1 tt0 -117.14 132.84 56.57 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.395 -0.594 . . . . 63.42 109.395 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -128.78 160.09 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 73.42 110.51 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -118.56 141.61 48.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.493 -0.558 . . . . 75.03 109.493 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 25' ' ' ASN . 51.2 tp -84.81 106.8 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.608 -0.516 . . . . 74.32 109.608 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -91.48 -30.25 4.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.514 -0.312 . . . . 75.1 111.561 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -145.42 133.44 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.158 -0.312 . . . . 73.13 110.158 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB2' HD23 ' A' ' 22' ' ' LEU . 45.7 t30 -140.71 99.73 3.69 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.67 -0.493 . . . . 64.31 109.67 -178.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HB3' ' H ' ' A' ' 94' ' ' TYR . 51.0 t80 -89.91 116.46 27.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 70.43 110.346 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 57.86 33.59 23.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.911 0.484 . . . . 74.24 111.328 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 58.4 30.82 20.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.853 -0.612 . . . . 73.02 110.91 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.58 -14.76 55.86 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.752 -0.658 . . . . 52.33 112.647 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 82.7 t80 -68.11 112.96 5.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.927 0.394 . . . . 74.24 110.985 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.7 105.37 9.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 53.55 109.338 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.1 tt0 -58.18 -37.01 73.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 73.44 110.823 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.571 ' HG2' ' N ' ' A' ' 34' ' ' ALA . 4.1 pm0 -56.38 -46.31 80.15 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.356 -0.384 . . . . 71.54 111.297 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.571 ' N ' ' HG2' ' A' ' 33' ' ' GLU . . . -78.89 -30.35 44.88 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.487 0.661 . . . . 75.13 109.46 -177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 73.15 110.073 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 19.5 ptmt -63.87 -19.74 65.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 74.53 111.163 -176.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.06 -47.2 16.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 53.12 110.556 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -89.04 -3.87 58.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.992 -0.549 . . . . 73.51 111.295 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' HA ' HD12 ' A' ' 60' ' ' LEU . 87.6 t80 -72.54 139.96 47.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 73.12 111.314 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 m -133.97 140.22 46.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.57 -0.741 . . . . 61.45 109.606 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -56.69 -32.48 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.724 0.41 . . . . 62.24 111.281 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.94 -24.95 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.278 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.49 -12.65 61.17 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.281 -0.418 . . . . 72.42 111.475 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.13 -24.59 67.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.588 0.233 . . . . 75.44 111.235 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.92 -26.55 64.45 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.877 0.37 . . . . 75.22 111.245 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -83.1 -30.87 27.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.941 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.33 1.74 3.72 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.333 0.653 . . . . 72.35 111.724 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -141.62 122.02 14.04 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.914 -0.402 . . . . 73.1 109.914 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.9 mm -109.22 125.64 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.621 -0.511 . . . . 73.21 109.621 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.2 t -124.16 124.86 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 74.31 110.516 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.35 128.95 8.2 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.035 -0.826 . . . . 61.52 111.035 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.37 147.32 47.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.947 0.403 . . . . 72.02 111.576 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -104.19 -8.37 19.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.591 -0.731 . . . . 71.22 110.982 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.19 -23.71 73.2 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.345 -0.702 . . . . 73.45 111.345 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -74.13 -9.18 58.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.214 0.53 . . . . 74.31 110.325 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.53 -54.41 4.14 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.812 -0.515 . . . . 64.05 111.812 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -99.54 129.96 45.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.667 -0.494 . . . . 73.22 109.667 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.78 102.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.049 0.452 . . . . 73.43 109.948 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.35 136.67 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.442 -0.577 . . . . 74.32 109.442 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 39' ' ' TYR . 86.2 mt -92.72 122.0 34.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.969 0.414 . . . . 72.11 111.015 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -109.69 173.96 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 74.14 109.05 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.95 149.63 21.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.843 -0.694 . . . . 74.33 111.884 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.05 165.42 25.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.73 -0.47 . . . . 74.41 109.73 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -103.16 170.85 7.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.128 -0.323 . . . . 74.11 110.128 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.47 107.76 0.54 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.424 0.63 . . . . 74.1 110.768 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 12.4 t70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.27 -0.877 . . . . 72.53 108.793 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.233 0.194 0 N-CA-C 111.913 0.338 . . . . 74.11 111.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.82 69.71 3.19 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.101 -0.703 . . . . 64.13 109.101 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.525 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.8 mt -68.28 103.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.041 -0.982 . . . . 75.14 110.162 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 t -57.48 -49.05 77.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.31 -0.404 . . . . 62.03 111.143 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -57.93 -27.29 63.24 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.983 0.42 . . . . 74.42 111.011 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -78.36 -43.41 27.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.199 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.25 -41.99 76.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.362 0.601 . . . . 72.12 109.897 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 12.3 mm-40 -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.217 -0.901 . . . . 73.34 109.985 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -58.47 -34.89 71.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.502 -0.772 . . . . 75.13 110.57 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.5 mm -67.23 -44.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.052 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -58.63 -31.65 68.3 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.068 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 8.4 mm-40 -60.77 -49.36 77.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 72.21 111.216 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -90.51 -55.36 3.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 75.53 110.555 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -81.39 87.19 6.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 63.34 111.356 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.423 HD21 ' N ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -83.72 -32.59 25.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.748 -0.834 . . . . 73.21 108.748 168.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -173.41 146.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.812 -1.086 . . . . 74.23 108.607 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.37 84.03 0.1 OUTLIER Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.9 -0.667 . . . . 75.35 112.041 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p -151.08 177.77 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 62.22 110.386 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.36 124.41 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.728 -0.841 . . . . 74.34 108.728 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.4 ' H ' ' HB3' ' A' ' 26' ' ' PHE . 32.4 p90 -148.13 155.67 41.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.88 0.372 . . . . 75.11 110.573 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 43.6 p90 -133.02 148.98 52.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 75.24 110.231 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -128.64 120.55 52.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.156 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -106.26 143.14 34.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.729 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.59 127.02 53.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.726 -0.67 . . . . 74.35 110.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.8 107.72 3.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.511 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.9 mm -68.51 141.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.096 -0.705 . . . . 75.3 109.096 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -71.12 2.16 4.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.555 0.576 . . . . 73.01 112.555 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -175.05 -172.33 0.59 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.47 0.176 . . . . 64.14 110.718 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 103' ' ' LEU . 1.8 mm? . . . . . 0 C--O 1.239 0.53 0 N-CA-C 109.071 -0.714 . . . . 75.43 109.071 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.519 0 N-CA-C 109.811 -1.316 . . . . 73.32 109.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.95 -57.59 5.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.58 -0.31 . . . . 74.41 110.519 -171.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 58.5 mt -140.95 79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.953 -0.758 . . . . 74.11 108.953 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.77 108.67 14.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.512 -0.767 . . . . 72.31 111.671 -173.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.504 HG13 HD21 ' A' ' 97' ' ' LEU . 15.9 mm -101.55 99.56 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.781 . . . . 73.53 109.756 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -93.06 116.91 29.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.137 -0.32 . . . . 71.11 110.137 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.5 131.94 16.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.948 0.404 . . . . 73.25 110.933 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 49.63 62.0 2.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.684 -0.689 . . . . 72.12 112.466 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 66.84 5.64 4.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.084 -0.507 . . . . 73.34 112.127 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.06 133.26 53.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.993 0.425 . . . . 74.32 111.071 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -95.55 125.12 39.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.687 -0.688 . . . . 64.21 109.315 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.09 166.11 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.723 -0.473 . . . . 65.21 109.723 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HG2' HD13 ' A' ' 100' ' ' ILE . 8.8 pt-20 -147.91 152.58 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.428 -0.582 . . . . 75.24 109.428 166.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.27 100.99 2.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.076 -0.511 . . . . 73.21 109.99 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.59 -8.12 10.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.318 -0.401 . . . . 73.21 111.416 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 8.0 t-80 -160.79 133.24 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 73.22 110.018 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -130.39 154.52 47.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.327 -0.62 . . . . 74.13 109.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.67 111.88 7.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.018 -0.734 . . . . 75.25 109.018 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 64.83 20.0 12.0 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.75 0.656 . . . . 74.33 110.812 173.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.67 47.03 19.12 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.484 -0.78 . . . . 75.33 110.921 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.19 11.11 59.0 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.623 -0.717 . . . . 75.01 112.308 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -84.6 112.65 20.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.892 0.377 . . . . 74.24 110.663 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -121.86 117.68 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.024 -0.732 . . . . 64.02 109.024 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -56.59 -49.04 76.08 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.089 0.243 . . . . 73.55 110.915 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.03 -44.26 87.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.21 111.016 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 65.44 110.253 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.97 -59.06 5.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.503 -0.771 . . . . 75.24 110.855 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 16.6 ptmt -69.64 -34.83 74.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 72.55 111.805 -172.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.44 -28.03 56.45 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.885 0.374 . . . . 65.1 111.668 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.3 mmp_? -107.2 9.46 30.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.828 0.347 . . . . 75.41 110.487 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' HA ' HD22 ' A' ' 60' ' ' LEU . 74.2 t80 -70.22 121.22 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 73.52 110.432 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.701 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 23.8 m -90.87 128.44 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.645 -0.502 . . . . 72.15 109.645 175.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.26 -38.41 68.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.166 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.59 -30.77 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.015 -0.539 . . . . 73.1 111.654 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.701 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 84.0 mt -65.39 -24.36 67.2 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.838 0.351 . . . . 64.2 111.181 -176.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.27 -26.23 64.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.547 . . . . 64.02 111.071 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.97 -13.99 59.9 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.668 -0.696 . . . . 71.23 111.396 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 43' ' ' LEU . 96.5 m-85 -90.7 -20.14 22.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.985 0.365 . . . . 72.02 111.985 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER 72.53 1.74 4.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.824 0.45 . . . . 75.25 112.183 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 25.5 m-85 -136.31 130.13 32.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.962 -0.384 . . . . 75.34 109.962 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -125.24 113.95 37.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 123.493 0.496 . . . . 72.04 109.792 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.04 133.55 68.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 75.02 110.513 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.09 128.7 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.824 -0.91 . . . . 62.3 110.824 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -114.13 158.04 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.334 0.588 . . . . 65.21 111.158 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -110.93 28.1 9.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.095 -0.957 . . . . 70.42 109.34 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.63 -63.53 5.02 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.9 -0.591 . . . . 55.33 112.781 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -74.16 -29.48 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 74.23 110.241 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.56 -47.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.168 -0.773 . . . . 75.5 111.168 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.6 108.21 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.817 -0.438 . . . . 72.51 109.817 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.89 121.38 9.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 75.02 110.188 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -136.78 136.48 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 75.33 110.116 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' ' 39' ' ' TYR . 6.1 mp -92.99 151.19 20.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.531 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -144.21 155.28 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.676 -0.49 . . . . 75.31 109.676 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.27 143.53 17.57 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.278 -0.487 . . . . 75.02 112.555 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 86.8 m-85 -144.55 177.35 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.981 0.513 . . . . 71.03 109.9 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -124.54 156.85 36.66 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.744 -0.835 . . . . 75.4 108.744 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HA ' HG12 ' A' ' 77' ' ' ILE . 1.3 p30 -78.18 108.19 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 61.43 110.47 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-N 115.362 -0.835 . . . . 72.22 110.117 176.777 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 111.928 0.344 . . . . 74.23 111.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.67 104.58 15.52 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.071 0.463 . . . . 73.13 111.501 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.637 HG12 ' HA ' ' A' ' 65' ' ' ASP . 49.4 mt -111.32 122.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 74.12 109.781 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -78.27 -44.99 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 72.44 110.107 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 t -64.01 -20.11 65.67 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.495 -0.321 . . . . 60.34 110.883 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' HG12 ' A' ' 84' ' ' ILE . 57.9 tp -76.73 -37.2 56.42 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.115 -0.328 . . . . 75.52 110.115 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.05 -42.86 91.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.238 0.542 . . . . 73.21 109.956 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 17.6 mm-40 -64.04 -48.75 75.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.476 -0.784 . . . . 73.11 110.326 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -51.65 -46.71 63.81 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.467 -0.788 . . . . 75.02 111.461 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 80' ' ' LEU . 49.2 mm -63.07 -42.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.317 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -63.91 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.702 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.0 mt-10 -78.64 -49.48 13.12 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.24 -0.436 . . . . 73.33 111.175 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.71 -78.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 75.41 112.035 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.2 t -84.47 64.95 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.392 0.615 . . . . 74.14 110.644 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -105.88 11.11 32.19 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.474 0.654 . . . . 73.41 110.089 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.11 -162.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.627 -0.715 . . . . 74.35 109.83 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.68 46.83 3.16 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.969 -0.634 . . . . 51.45 112.315 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.2 p -96.66 -164.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.747 0.419 . . . . 74.15 110.544 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.97 32.5 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.041 -0.355 . . . . 70.22 110.041 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -166.63 168.43 14.5 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.863 0.363 . . . . 75.42 110.857 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -141.8 146.49 35.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 75.22 110.212 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 60.3 t -128.32 119.15 49.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 120.789 0.328 . . . . 64.31 110.671 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -107.66 136.59 47.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 74.34 110.024 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.78 139.52 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 75.22 109.877 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 102.05 5.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.682 -0.488 . . . . 74.32 109.682 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 21' ' ' GLU . 42.3 mm -65.04 147.27 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.815 -0.629 . . . . 72.52 109.474 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -77.98 -3.78 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.589 -0.278 . . . . 74.15 111.466 -173.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' H ' HG23 ' A' ' 100' ' ' ILE . 25.6 mtmm -95.22 169.94 9.74 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 110.224 -0.287 . . . . 73.23 110.224 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--O 1.238 0.465 0 N-CA-C 109.195 -0.669 . . . . 72.14 109.195 173.352 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.027 -0.429 . . . . 70.41 112.027 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HG2' HG13 ' A' ' 11' ' ' ILE . 36.6 tt0 -155.19 -76.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.652 -0.499 . . . . 63.13 109.652 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.535 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.5 mt -132.52 93.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 73.14 109.604 176.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 71.24 109.993 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 20.1 mm -99.99 114.05 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.017 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -108.75 111.71 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.984 -0.376 . . . . 74.3 109.984 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -145.46 142.82 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 72.53 109.433 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.3 mm100 58.47 23.35 10.6 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.739 0.304 . . . . 71.13 110.444 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 m120 62.45 36.52 14.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.319 0.581 . . . . 73.11 110.673 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.8 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.583 -0.735 . . . . 74.35 109.14 173.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.43 124.92 50.1 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.177 0.298 . . . . 75.45 110.419 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 53.6 m-85 -122.13 159.15 27.77 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.308 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -125.24 138.63 54.11 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.241 -0.651 . . . . 75.45 109.241 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.6 tp -81.13 100.33 9.0 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.969 0.414 . . . . 65.22 109.994 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.19 -14.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 73.54 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -163.53 132.94 4.05 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.915 0.388 . . . . 73.5 111.621 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -123.23 132.65 54.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.16 -1.052 . . . . 65.04 108.16 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -122.71 110.18 15.18 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 72.3 109.993 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 55.26 53.09 10.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.649 0.593 . . . . 74.53 111.287 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.64 27.29 15.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.966 0.412 . . . . 73.03 110.52 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.68 96.89 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.746 -0.661 . . . . 53.11 112.719 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -73.89 94.84 2.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 75.23 111.491 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 31' ' ' ASN . 0.8 OUTLIER -109.08 113.11 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.407 -0.96 . . . . 72.23 108.407 169.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.9 tt0 -57.39 -41.75 80.87 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.964 -0.384 . . . . 74.05 109.964 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.35 -44.08 64.99 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.369 -0.832 . . . . 74.54 111.223 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.33 -38.74 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.495 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.74 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 75.22 110.909 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.9 ptmt -63.63 -24.13 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 75.24 111.36 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.15 -26.81 35.78 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.329 -0.396 . . . . 73.12 111.186 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -99.32 -21.48 16.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.351 -0.386 . . . . 74.22 111.152 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.88 131.7 48.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.082 0.468 . . . . 73.53 112.079 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t -124.44 156.89 36.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.38 -0.827 . . . . 72.41 110.062 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.69 -17.04 62.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.269 -0.423 . . . . 52.52 111.131 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -59.22 -28.65 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.24 0.543 . . . . 75.01 110.441 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' A' ' 49' ' ' ILE . 71.2 mt -81.77 -13.93 57.09 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.597 -0.729 . . . . 72.02 111.398 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -60.22 -33.76 72.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.141 -0.481 . . . . 75.52 111.466 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.574 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.41 -11.53 60.27 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.974 -175.132 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.403 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 97.6 m-85 -89.35 -31.19 17.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.773 -0.194 . . . . 74.42 111.136 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 69.03 1.46 3.19 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.139 0.576 . . . . 63.43 112.011 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -134.77 115.32 13.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.162 -0.681 . . . . 73.34 109.162 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 43' ' ' LEU . 12.2 mm -112.4 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 73.21 110.338 -175.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 96' ' ' VAL . 61.5 t -113.85 148.34 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.578 -0.527 . . . . 74.42 109.578 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.74 121.3 2.11 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.331 -0.708 . . . . 61.25 111.331 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -103.84 138.37 40.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.002 -0.369 . . . . 75.12 110.002 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -81.83 -30.27 32.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 73.33 109.826 175.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.12 -79.23 0.01 OUTLIER Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.535 -0.757 . . . . 74.43 112.158 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -128.89 -21.69 3.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 75.15 110.17 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.41 -31.88 0.39 Allowed Glycine 0 C--O 1.234 0.144 0 N-CA-C 111.054 -0.819 . . . . 74.23 111.054 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.48 88.58 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.392 -0.595 . . . . 75.12 109.392 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 59' ' ' ARG . 1.7 tt -67.97 125.7 27.14 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.389 -174.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HD2' ' OH ' ' A' ' 83' ' ' TYR . 22.6 ttm-85 -122.95 132.17 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.705 . . . . 74.41 110.158 -177.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.17 141.51 31.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.871 0.367 . . . . 71.14 110.088 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -139.5 130.4 26.22 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.911 -0.774 . . . . 75.25 108.911 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.04 141.04 16.07 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.882 -0.675 . . . . 75.43 111.705 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.66 165.28 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 73.44 110.589 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 154.73 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.896 -0.779 . . . . 75.34 108.896 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -70.69 113.41 7.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 73.11 111.121 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.793 -0.64 . . . . 75.14 109.605 173.251 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.46 -0.57 . . . . 74.32 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 76' ' ' LYS . 49.8 tptt 44.45 35.01 1.19 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.825 0.821 . . . . 74.0 111.098 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 66.7 mt -57.38 118.34 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.262 -0.881 . . . . 74.45 110.292 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 t -62.33 -44.24 96.96 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.646 -0.252 . . . . 65.1 111.192 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -63.25 -25.98 68.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.235 0.541 . . . . 63.41 110.136 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 45.1 tp -75.82 -41.42 52.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 73.31 110.128 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.33 -33.73 71.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.722 -0.672 . . . . 70.21 110.017 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.19 -49.18 15.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.504 -0.771 . . . . 72.32 110.167 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.437 ' OH ' ' HD2' ' A' ' 59' ' ' ARG . 87.7 t80 -53.58 -44.85 69.7 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.373 -0.831 . . . . 74.53 111.628 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.72 -48.31 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.429 -0.35 . . . . 73.32 110.661 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -57.81 -27.48 63.17 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.11 -0.495 . . . . 50.52 111.712 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.39 -31.12 57.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.751 0.31 . . . . 75.14 111.156 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -110.75 -56.49 2.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.926 0.394 . . . . 72.54 111.733 -173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.26 114.29 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.13 110.378 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -112.22 -53.73 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.673 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -160.72 150.21 17.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.142 -0.318 . . . . 72.34 110.142 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.19 2.58 67.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.231 -0.509 . . . . 75.33 111.864 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.4 p -112.8 178.29 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.706 0.402 . . . . 71.54 110.039 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.07 162.29 35.3 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.474 -0.33 . . . . 65.32 110.986 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.82 177.16 8.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.005 -0.543 . . . . 75.03 109.913 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.7 152.53 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.544 -0.298 . . . . 74.43 110.733 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.435 HG12 HG22 ' A' ' 50' ' ' VAL . 44.4 t -128.75 120.17 51.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.843 0.354 . . . . 72.42 110.612 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.87 136.42 48.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.06 -0.518 . . . . 72.0 110.382 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -111.28 117.38 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.93 -0.577 . . . . 73.0 109.585 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 2.2 tmm_? -83.11 130.99 35.16 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.764 -0.458 . . . . 74.34 109.764 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mm -76.29 3.93 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.536 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.647 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 17.3 mtp180 57.84 13.9 2.29 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.608 0.718 . . . . 73.4 110.255 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.595 ' HG2' ' N ' ' A' ' 103' ' ' LEU . 21.1 ttmm -134.32 167.24 21.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.179 -0.919 . . . . 74.41 109.776 -170.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.595 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 2.8 tm? . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 168.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.858 -0.097 . . . . 73.42 112.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.26 -55.5 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.382 -0.97 . . . . 75.14 108.382 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 HD21 ' A' ' 22' ' ' LEU . 63.8 mt -136.62 90.68 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.602 -0.888 . . . . 73.31 108.602 171.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.51 131.42 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 73.12 110.302 -176.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 24.0 mm -113.83 121.91 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.345 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.72 112.7 24.57 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.981 -0.377 . . . . 74.32 109.981 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.552 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -146.93 147.02 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.362 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.0 mm100 53.38 28.24 7.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.897 0.479 . . . . 63.24 111.535 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 45.0 m-80 64.21 44.57 4.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.933 -0.576 . . . . 74.54 110.809 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.59 138.88 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.572 . . . . 75.22 109.625 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HB3' ' HB ' ' A' ' 100' ' ' ILE . 19.1 tt0 -90.46 140.38 29.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.586 -0.524 . . . . 73.43 109.586 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 90.5 m-85 -134.43 158.9 42.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.954 -0.387 . . . . 75.33 109.954 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -131.28 145.1 51.75 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.524 -0.547 . . . . 74.14 109.524 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD21 HD12 ' A' ' 11' ' ' ILE . 50.9 tp -80.6 117.84 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.699 -0.482 . . . . 74.22 109.699 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.87 -22.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.606 0.241 . . . . 74.41 111.444 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.98 138.86 20.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.706 0.288 . . . . 73.01 111.033 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -157.57 142.74 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.629 -0.714 . . . . 74.41 109.547 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -149.28 136.67 20.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.688 -0.486 . . . . 72.13 109.688 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 65.16 28.28 12.2 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.709 0.631 . . . . 60.42 110.567 176.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.6 25.93 12.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 71.31 110.351 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.55 -29.34 60.79 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.786 -0.643 . . . . 51.33 112.31 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -70.1 97.52 1.19 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.372 0.606 . . . . 71.35 110.983 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.9 106.8 14.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.231 -0.895 . . . . 75.04 108.6 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 40.5 tt0 -49.56 -44.72 46.96 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.443 0.464 . . . . 74.32 110.977 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.33 -35.99 72.73 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.039 -0.528 . . . . 72.33 111.151 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.88 62.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.004 0.43 . . . . 73.2 110.292 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.8 -57.86 10.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.653 -0.703 . . . . 74.01 110.694 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.5 ptmm? -61.39 -29.34 69.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.527 . . . . 75.52 111.311 -177.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.2 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.956 0.407 . . . . 72.43 110.774 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -78.47 -26.85 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 73.12 111.521 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.27 124.06 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.155 0.502 . . . . 74.01 111.704 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.7 t -118.33 152.71 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 72.35 108.671 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -60.32 -31.6 70.44 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.622 0.249 . . . . 63.43 111.425 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.0 tp -61.15 -28.94 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.892 0.377 . . . . 73.41 111.159 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.63 -18.95 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.76 0.314 . . . . 72.44 111.308 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.7 -27.05 68.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.457 -0.338 . . . . 65.21 111.335 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.03 -18.37 65.3 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.307 -0.406 . . . . 75.35 111.374 -176.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.464 ' C ' ' H ' ' A' ' 48' ' ' TYR . 95.6 m-85 -82.98 -25.06 32.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.438 -0.346 . . . . 72.31 110.301 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 3.2 p30 48.26 11.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.688 1.195 . . . . 72.54 113.744 -174.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 46' ' ' TYR . 69.3 m-85 -137.24 114.53 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.332 -0.988 . . . . 72.13 108.332 169.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mm -114.51 114.85 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 75.14 110.381 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -104.66 111.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.202 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.54 119.81 5.95 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.933 -0.867 . . . . 73.52 110.933 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -120.0 129.01 54.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -85.4 -41.91 15.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.634 -0.506 . . . . 74.41 109.634 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.49 -90.99 0.01 OUTLIER Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.444 -0.798 . . . . 72.44 114.071 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -88.32 1.78 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 72.52 111.218 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.37 26.69 6.45 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.148 -0.478 . . . . 42.12 112.039 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.5 119.08 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 71.1 109.718 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.04 108.96 15.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 72.42 110.202 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -124.72 140.17 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 73.1 109.593 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.82 112.37 24.31 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.038 0.447 . . . . 64.24 110.014 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -105.47 122.51 46.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.589 -0.893 . . . . 72.41 108.589 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.55 142.67 18.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.87 -0.681 . . . . 70.34 112.666 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -130.13 168.44 16.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 74.15 110.328 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -107.65 170.2 8.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.962 -0.563 . . . . 73.21 109.843 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -61.59 130.3 45.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.046 0.451 . . . . 73.54 110.239 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' CB ' HG23 ' A' ' 77' ' ' ILE . 28.2 t70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.895 -0.593 . . . . 73.24 109.986 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.234 0.247 0 N-CA-C 111.65 0.241 . . . . 71.34 111.65 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.53 116.13 30.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.928 0.395 . . . . 75.3 111.479 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 66' ' ' ASP . 65.9 mt -95.3 112.03 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.866 -0.791 . . . . 75.02 108.866 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -62.85 -47.06 85.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.672 -0.24 . . . . 72.33 111.349 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -62.59 -24.59 67.64 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.933 0.397 . . . . 74.33 110.636 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD21 HG21 ' A' ' 96' ' ' VAL . 60.3 tp -73.76 -38.14 64.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.155 -0.475 . . . . 72.33 110.282 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.66 -39.25 73.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 60.5 109.979 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.3 -38.15 60.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 65.2 110.218 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.29 -55.14 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.288 -0.869 . . . . 72.55 110.857 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 88' ' ' CYS . 49.3 mm -60.92 -37.5 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 73.31 110.41 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.22 -28.64 63.07 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.745 -0.662 . . . . 74.42 110.512 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.43 -51.82 7.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.951 -0.568 . . . . 72.41 110.756 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -80.2 -84.81 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.989 -0.55 . . . . 74.52 111.38 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.458 ' HB3' HG23 ' A' ' 84' ' ' ILE . 38.8 t -75.84 97.44 3.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.853 0.358 . . . . 64.31 110.276 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -49.63 119.68 3.63 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.032 -0.531 . . . . 70.31 110.009 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -44.81 98.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.749 0.656 . . . . 74.35 110.758 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -22.38 1.19 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.222 -0.899 . . . . 71.21 111.019 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.434 ' SG ' ' C ' ' A' ' 88' ' ' CYS . 3.9 p -88.75 -167.89 2.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.436 0.294 . . . . 65.3 110.473 175.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.17 133.8 49.34 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.388 0.514 . . . . 71.21 112.388 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -160.0 167.02 28.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.487 -0.779 . . . . 75.01 109.129 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -158.06 160.23 37.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.73 0.3 . . . . 73.2 110.827 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.436 HG21 HD21 ' A' ' 80' ' ' LEU . 40.9 t -139.93 123.17 17.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.205 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD22 HG13 ' A' ' 13' ' ' ILE . 10.0 mp -107.39 140.99 39.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.973 0.416 . . . . 74.42 110.812 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -111.21 130.39 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.331 -0.85 . . . . 75.35 109.653 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HB3' ' HB2' ' A' ' 47' ' ' ASP . 3.7 tmm_? -79.38 122.28 26.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.097 0.475 . . . . 71.33 110.465 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 39.5 mm -85.16 144.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 74.22 110.011 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.415 ' H ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -90.15 58.42 4.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.084 0.469 . . . . 75.13 111.056 -178.328 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 39.0 mttt -153.76 151.52 29.68 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.65 -0.704 . . . . 73.03 110.623 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 1.3 tm? . . . . . 0 C--O 1.235 0.332 0 N-CA-C 107.694 -1.225 . . . . 73.25 107.694 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 111.099 -0.801 . . . . 55.31 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HG2' HG13 ' A' ' 11' ' ' ILE . 34.3 tt0 -159.97 -60.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.778 0.289 . . . . 60.12 110.422 175.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.534 HG13 ' HG2' ' A' ' 10' ' ' GLU . 68.0 mt -130.63 101.94 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.301 -0.409 . . . . 73.13 110.34 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.9 OUTLIER -106.85 135.42 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.812 -0.44 . . . . 74.1 109.812 177.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.51 HG13 HD22 ' A' ' 97' ' ' LEU . 23.4 mm -110.2 108.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 72.51 110.625 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -99.46 126.86 45.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.023 0.44 . . . . 75.43 110.06 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.737 HG12 ' H ' ' A' ' 16' ' ' GLN . 11.0 tt -144.82 -173.09 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.334 -0.617 . . . . 75.33 109.334 -175.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.737 ' H ' HG12 ' A' ' 15' ' ' ILE . 15.6 mm100 -43.03 99.9 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.226 0.61 . . . . 72.22 112.561 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.517 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.8 OUTLIER 55.95 27.58 11.37 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.881 -0.599 . . . . 75.02 111.393 173.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.4 132.82 22.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.842 0.353 . . . . 71.1 111.457 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HB2' HD22 ' A' ' 103' ' ' LEU . 32.7 tt0 -117.69 119.22 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.546 -0.909 . . . . 73.44 108.546 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.13 168.63 11.01 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.295 0.238 . . . . 70.22 110.513 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' MET . 14.8 pt-20 -136.87 143.67 43.15 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.601 -0.518 . . . . 74.43 109.601 169.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' A' ' 25' ' ' ASN . 43.6 tp -79.54 100.38 7.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 62.24 109.604 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.38 -16.51 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.108 -0.496 . . . . 75.43 111.262 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -159.28 133.64 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.555 -0.293 . . . . 73.15 110.508 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' A' ' 28' ' ' ASP . 50.2 t30 -144.03 114.6 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 63.12 109.905 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -102.99 130.23 50.02 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.5 -0.318 . . . . 72.23 110.222 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.47 13.51 8.9 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.125 0.57 . . . . 75.31 110.682 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.487 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 m-20 54.99 33.02 19.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.657 -0.701 . . . . 75.01 110.336 -172.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.89 -4.38 40.83 Favored Glycine 0 C--N 1.334 0.442 0 CA-C-N 115.467 -0.788 . . . . 36.99 112.767 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 71.3 t80 -62.02 103.1 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 75.33 110.767 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -110.3 101.5 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.829 -0.804 . . . . 74.33 108.829 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -56.18 -51.69 67.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.875 -0.602 . . . . 75.04 111.817 -172.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.77 -39.69 71.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.454 -0.339 . . . . 75.25 111.311 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.83 78.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.93 0.395 . . . . 73.32 110.558 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.36 -57.06 14.3 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.28 -19.36 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 73.44 111.7 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.56 -24.03 34.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.811 0.338 . . . . 72.44 111.169 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 5.6 mmp_? -109.2 -4.14 16.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.331 -0.395 . . . . 75.44 111.555 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HA ' HD21 ' A' ' 60' ' ' LEU . 85.3 t80 -60.54 115.69 3.78 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.856 0.36 . . . . 74.35 111.858 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.442 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 45.6 m -95.44 122.2 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 74.44 109.46 173.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -50.59 -40.68 53.13 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.34 0.496 . . . . 63.25 112.34 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tp -55.16 -28.16 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 120.981 0.419 . . . . 75.5 111.875 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 93.1 mt -67.6 -21.14 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 72.14 111.645 -176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.81 -28.61 66.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.005 0.431 . . . . 75.35 111.124 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -60.75 -31.94 71.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.83 -0.623 . . . . 75.33 111.363 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 34.8 m-85 -68.91 -24.2 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 74.41 111.614 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t70 72.61 -0.69 3.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.246 0.618 . . . . 71.45 111.007 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -145.95 115.43 7.16 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.282 -0.417 . . . . 73.51 110.068 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 43' ' ' LEU . 34.6 mm -117.62 117.15 54.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.248 -0.433 . . . . 72.3 109.921 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.512 HG22 HG11 ' A' ' 96' ' ' VAL . 43.6 t -116.78 122.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.554 -0.294 . . . . 74.13 110.532 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -105.23 121.68 6.96 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.66 -0.576 . . . . 70.14 111.66 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -111.22 153.59 25.62 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.044 0.45 . . . . 62.43 111.24 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -111.15 37.34 2.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.474 -0.785 . . . . 75.44 109.661 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -56.34 15.81 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.725 -0.67 . . . . 61.34 113.525 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.57 1.73 56.61 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.936 0.398 . . . . 72.24 110.069 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.58 -26.29 20.69 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.432 -1.067 . . . . 75.34 110.432 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.65 123.06 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.638 -0.505 . . . . 72.34 109.638 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.67 109.28 5.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.153 -0.684 . . . . 75.42 109.153 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.546 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 4.0 mmp_? -114.66 130.18 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.083 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 39' ' ' TYR . 11.1 mp -93.81 113.65 25.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.811 -0.44 . . . . 64.23 109.811 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.5 121.77 45.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.893 -0.594 . . . . 74.25 109.444 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.08 133.34 11.7 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.11 -0.567 . . . . 64.2 112.025 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.547 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 89.2 m-85 -125.76 164.25 21.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 75.13 110.746 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.92 171.69 7.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 74.34 109.86 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.38 131.6 51.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.998 0.428 . . . . 70.41 110.526 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 10.0 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.593 -0.73 . . . . 73.13 109.23 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.148 0.499 . . . . 75.22 111.763 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.56 78.69 4.33 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.334 -0.617 . . . . 72.04 109.334 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.531 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.6 mt -62.21 108.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 74.34 110.467 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -57.68 -50.09 74.32 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.101 -0.499 . . . . 73.23 111.131 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 t -61.2 -26.64 67.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.014 0.435 . . . . 75.44 110.79 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 31.9 tp -72.32 -40.63 67.3 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.191 -0.458 . . . . 72.41 110.123 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.47 -39.46 87.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 70.23 109.549 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.0 -29.57 66.68 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.267 -0.879 . . . . 72.23 110.371 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -71.02 -40.64 71.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.627 -0.715 . . . . 75.24 110.616 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.01 -37.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 75.21 110.278 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.39 -17.79 60.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.916 -0.583 . . . . 71.34 111.269 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.27 -29.4 63.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 75.25 111.186 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -110.91 -49.41 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.433 0.635 . . . . 73.44 111.043 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 92' ' ' CYS . 55.8 m -94.5 114.18 26.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.007 -0.997 . . . . 63.33 111.896 -168.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -91.38 -44.19 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.671 -0.863 . . . . 53.33 108.671 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -152.15 -65.46 0.17 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.364 -0.834 . . . . 62.51 109.47 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.45 107.69 2.03 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 110.753 -0.939 . . . . 74.52 110.753 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 88' ' ' CYS . 51.1 t -143.89 168.42 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 65.34 111.107 -172.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -164.97 118.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.712 -0.676 . . . . 74.22 109.814 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -161.36 160.64 29.84 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.794 -0.447 . . . . 74.32 109.794 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 30.1 p90 -136.08 140.28 43.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 61.34 110.802 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.512 HG11 HG22 ' A' ' 50' ' ' VAL . 43.5 t -117.82 117.63 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.39 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 13' ' ' ILE . 10.2 mp -108.53 136.76 47.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.771 -0.65 . . . . 74.24 110.022 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.45 143.29 36.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.457 -0.571 . . . . 65.42 109.457 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -75.52 116.85 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 73.11 110.947 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 102' ' ' LYS . 49.6 mm -76.28 111.57 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.886 -1.153 . . . . 74.12 107.886 168.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -69.88 78.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.093 0.949 . . . . 73.54 109.369 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 100' ' ' ILE . 31.7 tttm 175.92 136.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 113.519 -1.673 . . . . 73.44 108.536 -171.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 108.196 -1.039 . . . . 73.01 108.196 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 110.231 -1.148 . . . . 74.2 110.231 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.7 -50.53 64.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 117.674 0.737 . . . . 72.03 109.603 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 22' ' ' LEU . 49.9 mt -127.09 87.52 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.772 -0.649 . . . . 73.22 109.312 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.487 -0.779 . . . . 73.01 110.506 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 HG13 HD22 ' A' ' 97' ' ' LEU . 20.5 mm -120.99 98.86 6.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.488 -0.56 . . . . 75.14 109.488 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.42 122.24 43.91 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.417 -0.586 . . . . 72.42 109.417 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.0 tt -150.73 136.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.574 -0.285 . . . . 74.54 110.978 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.572 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.9 mm-40 53.99 45.97 26.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.004 -0.543 . . . . 71.53 111.654 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 58.08 38.66 26.58 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.031 -0.531 . . . . 65.32 110.805 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.21 142.1 42.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 54.01 110.325 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 103' ' ' LEU . 40.5 tt0 -101.95 114.18 28.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.596 -0.729 . . . . 75.22 110.383 -176.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -120.04 164.47 16.09 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.617 -0.512 . . . . 71.54 109.617 175.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.57 ' HG2' HD12 ' A' ' 100' ' ' ILE . 11.0 pt-20 -147.05 149.29 32.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.929 -0.767 . . . . 72.1 108.929 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.48 HD23 HD11 ' A' ' 11' ' ' ILE . 57.7 tp -74.29 102.97 4.52 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.651 -0.5 . . . . 73.34 109.651 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -92.5 -22.92 5.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.068 -0.515 . . . . 75.01 111.417 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.5 t60 -156.77 135.32 11.51 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.308 -0.256 . . . . 64.33 110.308 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -143.71 137.74 28.37 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -137.3 135.3 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.058 -0.349 . . . . 64.33 110.058 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.65 19.58 11.44 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.985 -0.552 . . . . 73.12 110.737 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 57.26 32.14 21.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.955 -0.566 . . . . 75.12 110.774 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -16.66 64.12 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.995 -0.548 . . . . 74.54 112.502 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.31 130.61 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.73 0.3 . . . . 74.54 111.175 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.574 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.1 t-20 -154.47 125.44 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.106 -0.702 . . . . 75.21 109.106 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 26.6 tt0 -61.14 -50.66 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.504 -0.317 . . . . 72.02 111.571 -174.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.574 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.8 pt-20 -58.82 -32.94 69.83 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.732 0.301 . . . . 73.23 111.161 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.3 -42.07 31.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 71.4 110.359 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.94 -58.06 10.06 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.783 -0.644 . . . . 75.3 110.989 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.7 ptmt -63.7 -19.76 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 74.31 111.488 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.58 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 73.51 110.849 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.8 mmp_? -92.54 -1.45 56.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.362 -0.381 . . . . 74.21 111.725 -176.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.86 142.16 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.817 -0.438 . . . . 73.05 109.817 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.2 t -139.98 158.27 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 72.53 110.373 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.46 -47.64 84.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.621 -0.718 . . . . 74.22 112.082 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.05 -31.22 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.01 0.434 . . . . 75.24 111.337 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 88.6 mt -67.58 -30.14 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 64.54 111.13 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -55.02 -45.65 75.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 72.32 112.105 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -70.31 -12.84 61.86 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.444 0.535 . . . . 73.2 112.444 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.565 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 70.6 m-85 -71.63 -26.48 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.36 -0.212 . . . . 74.53 110.5 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 19.0 t70 76.59 -0.31 3.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.332 0.653 . . . . 74.23 110.901 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -142.97 127.12 17.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.485 . . . . 71.14 110.221 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 43' ' ' LEU . 24.0 mm -119.31 113.49 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.496 -0.557 . . . . 73.1 109.496 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.8 p -124.87 120.84 59.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.81 0.338 . . . . 64.15 110.31 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.02 125.73 8.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.189 -0.529 . . . . 73.31 112.147 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -104.65 133.84 48.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.924 0.393 . . . . 73.22 110.285 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.403 ' CZ2' HD21 ' A' ' 58' ' ' LEU . 77.0 m95 -97.02 -0.71 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.834 -0.621 . . . . 72.55 109.756 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.3 92.99 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 115.765 -0.652 . . . . 74.31 112.712 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.17 -14.91 63.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.913 0.387 . . . . 75.31 110.577 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.37 -51.35 0.7 Allowed Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 111.573 -0.611 . . . . 52.31 111.573 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -103.98 131.47 51.2 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.316 -0.624 . . . . 72.41 109.316 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.403 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 59.9 tp -56.39 117.05 3.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.188 0.518 . . . . 74.12 111.943 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.529 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 29.0 ttm105 -113.04 129.16 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.512 -0.767 . . . . 73.12 109.619 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 38' ' ' ARG . 10.1 mp -94.37 107.5 19.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.432 -0.581 . . . . 62.42 109.432 173.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -99.12 163.03 12.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 75.4 109.409 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.26 144.62 15.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.979 -0.629 . . . . 75.12 112.357 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -137.78 168.3 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.866 -0.42 . . . . 75.31 109.866 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.98 164.83 11.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.611 -0.514 . . . . 72.55 109.611 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 109.56 1.05 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.517 0.675 . . . . 63.41 110.492 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.135 -0.939 . . . . 74.14 109.672 -177.651 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 110.666 -0.124 . . . . 64.42 110.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -145.97 133.8 21.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.687 0.28 . . . . 75.25 110.273 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -144.38 114.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.004 -0.739 . . . . 75.23 109.004 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -72.44 -45.51 59.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 73.02 111.076 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -61.69 -18.91 61.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.986 0.422 . . . . 75.24 110.853 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 84' ' ' ILE . 50.6 tp -64.04 -47.64 79.42 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 109.703 -0.48 . . . . 74.35 109.703 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.53 -41.06 96.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.641 -0.709 . . . . 60.42 110.081 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.06 -38.23 78.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.653 -0.703 . . . . 73.12 110.706 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -71.89 -48.72 43.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.72 -0.673 . . . . 75.44 110.621 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 88' ' ' CYS . 46.9 mm -57.85 -41.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 75.12 110.28 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -56.42 -26.02 52.1 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.621 . . . . 72.54 111.641 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.92 -56.61 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.361 -0.381 . . . . 73.13 111.51 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -88.1 -42.34 12.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 75.55 111.413 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 44.3 t -113.21 85.44 2.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.431 -174.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.32 150.82 46.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.979 -0.555 . . . . 74.22 110.784 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.0 t80 67.01 -73.59 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.776 0.672 . . . . 74.5 110.776 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.46 75.89 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.521 -0.632 . . . . 64.1 111.521 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.578 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.5 p -89.02 -157.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.264 -0.273 . . . . 74.24 110.264 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.59 127.44 32.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.873 0.368 . . . . 72.31 111.599 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -165.21 155.04 13.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.754 -0.657 . . . . 73.14 109.607 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.43 152.1 42.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.5 -0.318 . . . . 75.11 110.554 -177.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.417 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 46.5 t -129.48 121.85 54.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 123.504 0.503 . . . . 73.24 110.91 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.491 HD22 HG13 ' A' ' 13' ' ' ILE . 11.3 mp -111.91 147.77 35.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.029 -0.73 . . . . 54.11 109.029 171.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -113.07 133.68 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.181 -0.303 . . . . 74.33 110.181 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 6.5 tmm_? -74.92 93.17 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.867 -1.16 . . . . 72.42 107.867 174.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.57 HD12 ' HG2' ' A' ' 21' ' ' GLU . 40.8 mm -61.14 -71.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 74.1 111.791 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -167.0 -170.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.0 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -85.32 75.88 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.42 0.526 . . . . 73.21 112.42 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.522 ' N ' HD21 ' A' ' 103' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.472 0.66 0 O-C-N 124.299 0.999 . . . . 75.33 113.156 165.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.503 0 N-CA-C 111.78 -0.528 . . . . 63.03 111.78 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.27 -63.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.502 -0.555 . . . . 73.31 109.502 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.434 HD11 HD21 ' A' ' 22' ' ' LEU . 75.8 mt -143.85 93.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.591 -0.731 . . . . 73.24 109.211 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.07 122.11 41.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.044 -0.525 . . . . 75.43 110.694 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.1 mm -107.32 101.24 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 75.32 110.236 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' N ' HD11 ' A' ' 14' ' ' LEU . 6.5 mp -92.88 111.13 22.63 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.682 -0.488 . . . . 74.02 109.682 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.552 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.2 tt -141.94 134.07 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.306 -0.406 . . . . 62.41 110.871 -176.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.0 mm-40 52.81 39.95 29.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.867 0.467 . . . . 73.24 111.27 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 58.38 43.97 19.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.39 0.614 . . . . 61.54 110.778 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.3 118.53 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 63.34 109.681 174.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.98 116.3 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 73.41 110.117 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -115.09 167.15 11.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.436 -0.347 . . . . 73.31 110.315 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.4 pt-20 -134.3 144.1 48.13 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.51 -0.552 . . . . 64.23 109.51 171.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 25' ' ' ASN . 48.2 tp -82.14 100.93 10.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.682 -0.488 . . . . 63.3 109.682 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.78 -29.17 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 74.31 111.163 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -146.57 133.59 20.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 64.12 110.644 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB2' HD23 ' A' ' 22' ' ' LEU . 41.0 t30 -140.12 108.43 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.45 -0.574 . . . . 75.21 109.45 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.44 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 33.6 t80 -93.29 126.32 38.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 71.52 110.726 -176.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 9.9 mmpt? 60.71 23.41 13.28 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.713 0.633 . . . . 73.14 111.503 175.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.47 38.48 28.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.146 0.498 . . . . 74.3 110.99 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.53 ' HA3' ' HB3' ' A' ' 93' ' ' ALA . . . -77.34 -1.81 76.92 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.803 -0.635 . . . . 62.32 112.88 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.3 97.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 71.34 111.177 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -112.03 102.26 10.49 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.47 -0.567 . . . . 75.11 109.47 172.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 17.6 tt0 -55.18 -42.62 73.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.747 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.03 -40.39 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 72.21 111.282 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.91 57.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 75.11 110.162 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -57.82 -58.56 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 74.43 111.152 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.5 ptmt -68.32 -19.46 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 74.14 111.403 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -42.99 19.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.214 -0.448 . . . . 54.11 110.798 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.8 mmp_? -89.18 -6.39 56.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.292 -177.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -57.07 139.18 53.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 73.51 110.474 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -132.39 152.4 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.485 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.19 -41.26 79.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.226 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 8.0 tp -58.49 -28.44 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.007 -0.542 . . . . 74.15 111.445 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 49' ' ' ILE . 95.5 mt -73.73 -24.75 59.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 74.23 111.807 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.62 -27.07 66.0 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.42 0.526 . . . . 74.54 112.42 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -79.66 -20.37 46.82 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.948 0.722 . . . . 71.25 112.948 -172.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.9 m-85 -72.2 -25.68 61.76 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.988 0.736 . . . . 70.14 112.988 -170.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.7 m-20 69.11 0.29 2.76 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.831 0.452 . . . . 74.33 111.64 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.863 0.465 . . . . 74.32 109.804 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 43' ' ' LEU . 43.8 mm -118.6 115.12 47.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.33 109.897 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 HG11 ' A' ' 96' ' ' VAL . 68.1 t -112.83 125.03 70.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.288 -0.415 . . . . 75.13 110.007 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -101.64 120.25 6.79 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.928 -0.869 . . . . 51.13 110.928 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -111.4 152.07 27.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.118 -0.327 . . . . 65.21 110.118 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -104.61 39.1 1.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.138 -0.483 . . . . 75.24 109.867 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.92 128.74 48.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.576 -0.738 . . . . 74.04 111.961 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.0 t80 67.75 1.73 2.76 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.019 0.527 . . . . 74.51 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.57 -7.09 45.79 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 121.209 -0.519 . . . . 62.42 112.836 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.73 134.09 48.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.28 -0.267 . . . . 72.23 110.28 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.6 120.24 23.66 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.984 -0.376 . . . . 64.54 109.984 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.507 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 19.8 ttm180 -126.45 142.5 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 74.21 110.549 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.8 mp -100.16 112.09 24.4 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.487 -0.56 . . . . 72.12 109.487 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 9.8 tmtt? -106.96 129.76 54.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 63.33 108.784 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -86.32 127.85 8.56 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.874 -0.679 . . . . 50.05 111.994 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 94.7 m-85 -118.48 161.81 19.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.32 . . . . 72.42 110.44 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.88 170.03 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.078 -0.51 . . . . 74.32 109.823 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.33 132.31 40.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 74.43 110.779 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 116.009 -0.541 . . . . 72.42 110.722 178.139 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.235 0.316 0 N-CA-C 111.938 0.347 . . . . 71.24 111.938 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -105.55 110.77 23.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.114 0.483 . . . . 72.35 110.544 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.6 mt -93.79 135.47 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.872 -0.604 . . . . 74.14 110.024 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.7 m -77.75 -52.17 9.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 73.04 110.515 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -57.66 -24.27 55.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.994 0.426 . . . . 75.25 110.775 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 84' ' ' ILE . 36.5 tp -61.71 -60.25 3.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 71.52 110.975 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.48 -33.83 73.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.013 0.435 . . . . 74.1 110.645 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -66.29 -40.86 90.31 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.858 -0.61 . . . . 75.5 110.376 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -66.61 -44.96 80.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.66 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.3 mm -59.39 -40.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.635 . . . . 75.15 110.9 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.88 -28.22 67.36 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.046 -0.525 . . . . 75.41 111.294 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.74 -36.17 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 75.14 111.766 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -118.72 -38.67 3.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.596 0.591 . . . . 73.04 112.596 -170.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.631 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.9 t -116.23 34.07 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.859 0.318 . . . . 74.54 111.859 -168.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -67.0 -28.86 68.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.812 0.339 . . . . 75.35 110.671 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.55 -1.48 34.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.474 -0.33 . . . . 65.1 111.331 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.79 108.24 0.17 Allowed Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.089 -0.577 . . . . 70.25 112.418 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.631 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 26.7 p -129.6 -78.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.767 -0.255 . . . . 61.31 110.702 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB3' ' HA3' ' A' ' 29' ' ' GLY . . . 176.01 141.2 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.648 0.379 . . . . 71.11 110.503 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -169.85 158.65 7.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.721 -0.474 . . . . 75.42 109.721 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -138.85 146.86 41.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.529 0.204 . . . . 75.23 111.034 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 HG22 ' A' ' 50' ' ' VAL . 47.3 t -120.44 121.04 64.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.355 -0.384 . . . . 72.24 110.828 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.4 mp -109.38 130.54 55.49 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.805 0.442 . . . . 75.5 110.756 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -107.88 128.79 54.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 73.34 109.92 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 47' ' ' ASP . 46.4 ttp180 -77.45 128.84 34.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.977 -0.379 . . . . 73.23 109.977 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.438 ' CG2' ' HG2' ' A' ' 102' ' ' LYS . 20.0 mm -83.31 158.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 71.54 110.387 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -79.6 -1.14 36.66 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.234 -0.439 . . . . 73.4 111.519 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.438 ' HG2' ' CG2' ' A' ' 100' ' ' ILE . 13.8 ptmm? -108.23 161.14 15.27 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.877 -0.416 . . . . 73.04 109.877 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.473 -0.936 . . . . 75.21 108.473 176.312 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.824 -0.51 . . . . 55.03 111.824 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.75 -50.28 74.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.804 0.335 . . . . 74.31 110.444 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.459 HD11 HD21 ' A' ' 22' ' ' LEU . 60.1 mt -127.59 101.15 6.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 73.42 110.121 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.15 140.19 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.432 -0.804 . . . . 73.21 110.306 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.514 HG13 HD22 ' A' ' 97' ' ' LEU . 31.2 mm -122.18 110.67 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.366 -0.605 . . . . 71.12 109.366 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.47 115.61 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.311 . . . . 74.41 110.321 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.594 HG12 ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -150.53 135.65 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.346 -0.388 . . . . 71.03 110.936 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.594 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.1 mm-40 56.88 35.63 26.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.094 0.473 . . . . 73.34 110.835 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 59.66 17.01 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.589 -0.732 . . . . 74.35 111.559 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.05 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.902 -0.777 . . . . 63.02 108.902 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 103' ' ' LEU . 38.9 tt0 -104.78 132.98 50.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.051 -0.352 . . . . 74.21 110.051 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 97.6 m-85 -133.72 164.58 26.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.182 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HG2' HD12 ' A' ' 100' ' ' ILE . 6.8 pt-20 -133.46 148.2 51.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.152 -0.684 . . . . 72.02 109.152 169.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 11' ' ' ILE . 47.3 tp -77.28 100.34 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 71.45 109.737 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.71 -21.59 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.52 -0.309 . . . . 75.3 111.244 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 21.8 t-80 -150.94 133.53 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.952 -0.388 . . . . 74.22 109.952 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 28' ' ' ASP . 53.2 t30 -141.76 126.52 18.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.225 -0.657 . . . . 74.44 109.225 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 41.9 t80 -118.62 128.15 54.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 73.43 110.299 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 8.7 mmpt? 60.58 21.48 11.3 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.746 0.654 . . . . 73.02 110.36 178.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HA ' HD22 ' A' ' 25' ' ' ASN . 42.4 m-20 54.06 32.55 15.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.4 -0.818 . . . . 74.33 111.175 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA3' ' HB3' ' A' ' 93' ' ' ALA . . . -71.09 -7.71 63.33 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 116.005 -0.543 . . . . 54.2 112.924 -177.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -69.54 92.39 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.268 0.556 . . . . 73.4 111.096 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -94.92 106.89 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.928 -0.767 . . . . 72.43 108.928 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.8 -46.85 74.56 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.431 -0.35 . . . . 74.42 111.523 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.01 -42.13 97.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.804 -0.18 . . . . 71.34 110.687 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.49 94.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.936 0.398 . . . . 65.41 110.268 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -56.7 -58.8 6.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.695 -0.684 . . . . 75.33 110.643 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HB2' HD12 ' A' ' 15' ' ' ILE . 13.4 ptmm? -68.91 -20.91 64.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.728 -0.669 . . . . 75.21 111.625 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.33 -16.55 45.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.44 -0.345 . . . . 71.43 111.218 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.536 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -111.68 -14.75 13.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.75 0.309 . . . . 73.54 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.56 158.71 26.35 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.043 -0.526 . . . . 61.33 110.901 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.6 t -154.66 167.51 29.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.2 -0.455 . . . . 70.44 109.85 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.2 -52.05 66.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.071 0.548 . . . . 61.54 112.476 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.72 -29.5 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 112.344 0.498 . . . . 64.43 112.344 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.46 -25.42 68.0 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.687 0.28 . . . . 75.11 111.406 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.18 -25.83 68.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.429 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -70.32 -16.78 63.04 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.299 -0.41 . . . . 74.35 111.759 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.5 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 71.7 m-85 -84.25 -31.14 25.15 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.61 0.226 . . . . 74.5 111.61 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HA ' ' HB2' ' A' ' 99' ' ' ARG . 2.4 m-20 66.18 0.96 1.81 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.993 0.517 . . . . 74.43 111.974 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.89 118.46 10.97 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.156 0.582 . . . . 72.32 109.672 177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.6 mm -118.81 118.18 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.34 110.083 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.75 114.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 75.41 109.659 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.39 120.23 6.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.67 -0.776 . . . . 60.34 111.638 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.75 131.8 52.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.291 -0.263 . . . . 72.01 110.291 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.06 -37.89 37.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.602 -0.888 . . . . 73.12 108.602 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.04 -87.01 0.01 OUTLIER Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.341 -0.845 . . . . 43.43 112.859 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -104.07 -26.76 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.821 0.344 . . . . 74.45 110.337 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.49 -28.0 0.49 Allowed Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.839 -0.619 . . . . 64.45 111.592 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.83 101.82 11.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 74.12 110.483 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.87 117.14 8.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.844 -0.617 . . . . 74.53 110.093 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -129.7 145.06 51.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.545 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.11 118.97 37.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.227 -0.442 . . . . 70.22 110.633 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -106.41 135.45 47.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.55 -0.75 . . . . 71.2 109.42 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.64 146.12 17.97 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.792 -0.718 . . . . 62.44 112.191 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 71.8 m-85 -141.57 163.69 32.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.521 -0.548 . . . . 73.44 109.521 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.62 163.89 12.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.986 -0.376 . . . . 71.05 109.986 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.84 119.72 12.99 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.291 -0.633 . . . . 73.35 109.291 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' ' 77' ' ' ILE . 35.2 t70 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.742 -0.663 . . . . 75.35 110.901 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.068 0.461 . . . . 72.4 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.5 102.68 10.77 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.13 -0.486 . . . . 73.11 111.096 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 66' ' ' ASP . 69.7 mt -82.51 133.87 28.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.145 -0.48 . . . . 72.41 109.932 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -55.92 5.31 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.565 -0.289 . . . . 72.41 111.148 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -60.2 -21.43 61.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.851 0.358 . . . . 73.41 111.219 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.126 -0.488 . . . . 72.53 110.702 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.92 -47.41 85.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.388 0.613 . . . . 71.33 110.267 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -71.1 -31.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.078 -0.965 . . . . 71.34 110.838 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.11 -52.87 52.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 72.45 110.615 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.83 -38.32 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.368 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.576 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 50.8 t80 -50.49 -46.29 56.88 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.779 -0.646 . . . . 74.41 111.244 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.72 -28.79 69.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.38 -0.373 . . . . 71.32 111.727 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -118.0 -94.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.251 0.463 . . . . 71.43 112.251 -172.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.0 t -95.29 49.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 75.33 111.187 -168.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.576 ' HB3' ' HA ' ' A' ' 85' ' ' TYR . 10.0 p30 -69.24 -35.19 75.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.597 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -170.1 144.56 2.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.298 -0.41 . . . . 74.4 109.984 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 -5.42 44.68 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.44 -0.409 . . . . 75.05 112.337 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 p -148.79 -163.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.13 -0.693 . . . . 70.54 109.13 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.477 ' HB3' ' HA3' ' A' ' 29' ' ' GLY . . . -133.08 154.55 50.46 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.78 0.324 . . . . 74.25 111.327 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -155.03 164.2 39.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.751 -0.659 . . . . 73.42 109.436 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.86 155.05 43.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.612 0.244 . . . . 74.54 111.071 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 36.1 t -132.07 125.56 54.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 116.02 -0.536 . . . . 72.25 109.961 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.514 HD22 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -119.1 144.46 46.6 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.068 -0.515 . . . . 74.32 109.899 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -115.7 142.82 46.24 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.974 -0.38 . . . . 73.43 109.974 174.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.55 ' HB2' ' HA ' ' A' ' 47' ' ' ASP . 1.4 tmt_? -79.31 108.2 12.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 70.33 110.292 -176.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.514 HD12 ' HG2' ' A' ' 21' ' ' GLU . 39.8 mm -75.75 135.38 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.731 -0.47 . . . . 75.34 109.731 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.66 77.37 8.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.452 0.538 . . . . 72.44 112.452 -169.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 78.0 tttt -174.81 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.835 -0.62 . . . . 71.51 111.243 168.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 19' ' ' GLU . 3.3 tm? . . . . . 0 N--CA 1.471 0.598 0 O-C-N 124.148 0.905 . . . . 74.25 109.552 -171.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 111.758 -0.537 . . . . 72.31 111.758 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG2' HG13 ' A' ' 11' ' ' ILE . 37.0 tt0 -167.49 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.132 -0.692 . . . . 74.01 109.132 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.482 HD11 HD21 ' A' ' 22' ' ' LEU . 62.4 mt -125.34 112.39 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 73.44 109.29 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.36 131.13 54.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 71.51 110.266 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.402 HG13 HD22 ' A' ' 97' ' ' LEU . 25.2 mm -117.57 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 73.51 110.247 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.78 115.1 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 71.52 110.108 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG12 ' HG2' ' A' ' 16' ' ' GLN . 9.3 tt -150.47 139.67 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.41 -0.359 . . . . 74.22 110.781 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.503 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.8 mm100 55.27 40.01 31.47 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.402 0.439 . . . . 74.22 111.609 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 64.11 15.62 9.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.904 -0.589 . . . . 74.31 110.88 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.16 126.8 55.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 63.53 109.71 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.598 ' H ' ' NH1' ' A' ' 99' ' ' ARG . 43.1 tt0 -104.12 128.13 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.065 -0.516 . . . . 74.43 110.038 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' LYS . 96.7 m-85 -131.85 161.9 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 74.52 110.714 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -129.86 135.32 48.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.28 -0.637 . . . . 75.21 109.28 170.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 HD11 ' A' ' 11' ' ' ILE . 64.1 tp -73.86 100.49 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.703 -0.48 . . . . 75.45 109.703 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.91 -26.42 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.044 -0.525 . . . . 64.01 111.97 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -146.84 135.11 21.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 75.22 110.999 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -130.73 141.54 50.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.985 -0.746 . . . . 61.42 108.985 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -132.85 115.61 15.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.865 -0.42 . . . . 73.11 109.865 -176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 59.87 28.28 17.75 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.486 0.491 . . . . 75.13 111.083 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.0 t70 58.34 31.91 21.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.751 -0.659 . . . . 64.21 110.76 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.1 -4.76 30.25 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.795 -0.639 . . . . 74.25 113.061 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -72.84 113.1 9.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 75.44 110.944 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -135.91 102.17 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.605 -0.887 . . . . 74.04 108.605 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 34.1 tt0 -59.05 -41.88 88.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.956 -0.565 . . . . 73.2 112.064 -168.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -55.15 -41.77 72.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.962 0.411 . . . . 73.45 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.58 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 72.44 110.548 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.35 -59.54 4.56 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.949 -0.569 . . . . 75.11 110.643 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 13.0 ptmm? -61.1 -30.31 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 74.21 111.249 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.7 76.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.255 -0.429 . . . . 74.42 110.995 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -103.05 5.79 38.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.348 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' A' ' 60' ' ' LEU . 72.9 t80 -78.99 151.75 31.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.265 0.555 . . . . 74.33 111.17 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -142.13 147.23 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.424 -0.807 . . . . 74.11 109.398 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.99 -27.58 68.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.07 0.462 . . . . 75.05 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.67 -25.44 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.984 -0.553 . . . . 72.41 111.071 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 49' ' ' ILE . 90.7 mt -71.24 -22.88 61.93 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.985 -0.552 . . . . 73.23 111.744 -174.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.24 -21.95 50.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.025 0.44 . . . . 74.4 111.015 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -63.71 -31.91 73.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.481 -0.781 . . . . 75.12 112.365 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.49 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.9 m-85 -86.42 -23.49 26.05 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.82 0.674 . . . . 71.32 112.82 -167.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 25.6 m-20 70.73 -0.69 2.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.269 0.627 . . . . 64.11 112.05 -176.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -148.31 119.56 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.749 0.309 . . . . 73.54 110.385 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.465 HD13 ' HB3' ' A' ' 43' ' ' LEU . 23.9 mm -115.95 116.21 51.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.037 -178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 96' ' ' VAL . 60.3 t -113.92 113.66 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.539 -0.301 . . . . 73.14 110.209 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.91 121.66 7.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.88 -0.676 . . . . 70.51 111.798 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.25 155.71 21.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.011 0.434 . . . . 75.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.51 38.75 2.37 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.597 -0.728 . . . . 74.44 110.276 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.63 -62.73 5.91 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.978 -0.556 . . . . 72.15 112.806 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -80.63 -39.24 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 75.02 110.268 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.94 -49.61 0.72 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.328 -1.109 . . . . 64.12 110.328 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.99 116.63 5.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.939 -0.763 . . . . 73.31 108.939 170.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.2 109.58 0.69 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 74.22 109.311 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.544 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 92.8 mtt180 -101.09 130.15 47.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.26 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 39' ' ' TYR . 88.7 mt -97.56 109.72 22.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 72.21 110.14 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.2 tmtt? -97.43 127.94 43.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.734 -0.839 . . . . 73.13 108.734 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.546 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -91.14 123.37 7.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.207 -0.52 . . . . 52.23 112.141 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 88.2 m-85 -116.13 156.13 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.638 0.256 . . . . 73.13 110.452 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -102.82 159.29 15.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.122 -0.695 . . . . 75.45 109.122 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.92 130.99 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.766 0.317 . . . . 75.11 110.809 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 109.772 -0.455 . . . . 72.34 109.772 175.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.141 0.496 . . . . 71.24 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -102.13 109.63 21.38 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.891 -0.595 . . . . 73.31 111.132 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.07 116.94 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.575 -0.898 . . . . 73.32 108.575 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 t -65.75 -52.83 47.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 72.32 110.967 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -63.92 -24.31 67.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 75.22 110.845 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.506 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.8 tp -63.73 -47.47 80.93 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.292 -0.413 . . . . 63.41 110.777 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.7 -41.69 70.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.296 0.57 . . . . 74.52 109.964 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.11 -49.03 66.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.3 -0.864 . . . . 70.42 109.914 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -51.74 -42.18 62.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.96 -1.018 . . . . 73.33 111.389 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -63.06 -45.95 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 72.54 110.888 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.26 -25.44 68.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.892 0.377 . . . . 74.33 110.931 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.33 -62.2 1.52 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 75.54 110.465 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -80.83 -53.73 6.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.631 -0.713 . . . . 72.33 111.693 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.86 78.05 1.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 73.03 111.01 -173.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.02 -42.91 7.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.642 -0.708 . . . . 60.42 110.162 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -89.48 -173.81 4.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.47 -0.786 . . . . 72.03 109.512 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.12 82.38 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.443 -0.408 . . . . 70.42 113.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.1 -172.88 2.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.904 0.482 . . . . 72.45 109.943 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.92 44.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.683 0.278 . . . . 75.32 111.744 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -165.38 177.67 7.36 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.599 -0.728 . . . . 72.13 109.699 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -155.1 155.86 34.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.45 -0.341 . . . . 71.15 110.359 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 HG22 ' A' ' 50' ' ' VAL . 40.3 t -128.08 125.86 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 123.256 0.348 . . . . 70.12 111.074 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.402 HD22 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -109.48 145.87 35.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.334 -0.394 . . . . 74.54 110.668 176.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 84.0 tttt -116.59 129.14 56.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.794 -0.639 . . . . 75.33 110.415 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.598 ' NH1' ' H ' ' A' ' 19' ' ' GLU . 12.7 tpt85 -76.68 111.46 12.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.071 0.463 . . . . 72.54 111.66 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.411 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 26.1 mm -90.37 112.88 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.653 -0.869 . . . . 73.23 108.653 172.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -78.62 61.34 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 75.31 112.018 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -131.24 -69.57 0.62 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.943 -0.572 . . . . 75.32 109.765 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? . . . . . 0 N--CA 1.468 0.474 0 O-C-N 123.599 0.562 . . . . 71.33 110.434 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 110.639 -0.985 . . . . 74.25 110.639 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -162.75 -63.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.049 0.425 . . . . 61.35 110.175 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -118.67 93.55 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 73.12 110.554 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -106.64 124.75 50.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 74.43 110.165 178.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm -105.03 100.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.478 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 14' ' ' LEU . 6.9 mp -90.66 110.85 22.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.83 -0.433 . . . . 72.42 109.83 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -133.11 114.02 20.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.962 0.411 . . . . 73.21 111.318 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 53.73 57.03 6.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.586 -0.734 . . . . 74.22 111.294 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 m120 66.71 2.45 2.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.541 -0.754 . . . . 62.42 112.325 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.51 108.44 19.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 73.53 109.9 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.8 119.4 31.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.92 0.39 . . . . 72.52 110.379 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.78 172.06 7.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.08 -0.711 . . . . 74.3 109.08 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' HG2' HD12 ' A' ' 100' ' ' ILE . 8.8 pt-20 -140.62 150.62 43.81 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.818 -0.438 . . . . 73.23 109.818 168.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 25' ' ' ASN . 52.8 tp -77.49 100.2 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.927 -0.579 . . . . 64.23 109.621 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' HB ' HG22 ' A' ' 75' ' ' THR . 32.7 m -90.49 -17.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 73.15 111.038 -177.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -156.7 133.44 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 63.13 110.471 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 28' ' ' ASP . 53.3 t30 -140.69 135.51 31.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.34 -0.615 . . . . 74.05 109.34 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -124.15 116.3 22.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.445 -0.205 . . . . 74.4 110.445 -173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 57.97 25.92 12.8 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.153 0.502 . . . . 74.13 110.286 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' HD22 ' A' ' 25' ' ' ASN . 3.4 m-20 51.57 44.81 28.87 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.083 -0.962 . . . . 74.53 111.108 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.91 -12.41 62.36 Favored Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.667 -0.697 . . . . 72.23 111.817 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 79.7 t80 -62.38 99.75 0.15 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.89 0.376 . . . . 75.14 111.166 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.438 ' N ' HD21 ' A' ' 31' ' ' ASN . 0.9 OUTLIER -110.24 101.6 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.58 -0.896 . . . . 73.12 108.58 170.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.31 -45.25 94.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.661 -0.245 . . . . 71.43 110.706 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.09 -36.53 68.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.198 -0.456 . . . . 74.02 111.044 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -77.0 -42.1 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.341 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.22 -57.14 13.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.938 -0.574 . . . . 62.51 110.961 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -65.34 -17.73 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.686 . . . . 71.54 110.984 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.05 -26.3 31.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 19.8 mmt180 -101.24 -8.1 22.47 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.694 0.257 . . . . 74.52 111.694 -176.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.04 140.97 57.72 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.663 -0.244 . . . . 75.41 110.85 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -141.46 163.67 32.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.017 -0.538 . . . . 72.42 109.854 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.89 -49.24 76.15 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.311 -0.404 . . . . 62.32 111.3 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 tp -51.43 -34.22 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.031 -0.532 . . . . 74.13 112.089 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 49' ' ' ILE . 81.0 mt -64.98 -27.58 68.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 75.11 111.752 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.18 -32.12 73.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.507 0.558 . . . . 72.23 112.507 -172.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -78.91 -12.12 60.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.995 0.368 . . . . 71.35 111.995 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.454 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 81.7 m-85 -80.85 -40.82 24.2 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.902 0.382 . . . . 72.51 110.454 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 70.3 m-20 71.36 2.96 4.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.242 -0.89 . . . . 71.13 111.751 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 65' ' ' ASP . 46.9 m-85 -132.44 114.8 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.204 -0.665 . . . . 72.5 109.204 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 43' ' ' LEU . 21.4 mm -116.2 114.0 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.694 -0.484 . . . . 73.12 109.694 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 HG22 HG11 ' A' ' 96' ' ' VAL . 62.0 t -111.95 108.42 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.289 -0.414 . . . . 74.33 109.9 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -93.99 120.23 6.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.559 -0.829 . . . . 63.33 111.427 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.4 146.52 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 72.12 110.373 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -97.44 35.74 1.59 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 73.04 109.959 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.1 133.29 42.98 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.729 -0.669 . . . . 62.15 111.991 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 74.3 t80 74.54 -59.72 0.54 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.953 0.501 . . . . 74.11 110.458 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.86 -33.18 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.215 -0.517 . . . . 63.41 112.298 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.82 137.78 32.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.306 . . . . 73.14 110.681 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.45 108.55 8.33 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.312 -0.625 . . . . 75.44 109.312 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 41.1 ttm180 -99.98 129.2 46.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 74.21 110.615 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt -94.96 103.33 15.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.76 -0.459 . . . . 72.24 109.76 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.35 122.7 40.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.752 -0.658 . . . . 75.33 109.966 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.09 140.93 15.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.192 -0.528 . . . . 73.1 111.817 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -131.04 163.47 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 73.44 111.231 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -104.5 138.24 41.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.67 -0.863 . . . . 72.52 108.67 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 44.1 t0 -68.78 144.5 54.32 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.209 0.318 . . . . 74.35 111.003 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.145 -0.317 . . . . 72.2 110.145 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.487 HG22 ' HB ' ' A' ' 23' ' ' VAL . 23.2 p . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.799 0.333 . . . . 72.33 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -136.05 117.85 15.11 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.349 -0.387 . . . . 75.21 110.499 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.64 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 75.5 109.194 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 t -67.97 -49.55 61.02 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.568 0.223 . . . . 75.13 110.859 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.2 t -60.93 -27.87 68.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.202 0.525 . . . . 64.12 110.241 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.3 tp -77.61 -41.13 39.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.954 -0.566 . . . . 71.05 110.309 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.27 -38.7 71.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.644 -0.707 . . . . 64.44 110.285 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.04 -40.38 60.43 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.785 -0.643 . . . . 64.54 110.538 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.39 -41.89 85.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.755 -0.657 . . . . 74.34 111.352 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.57 -38.03 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 74.35 110.706 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -61.99 -26.45 68.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.767 -0.651 . . . . 75.33 110.759 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.85 -43.02 89.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 74.33 111.65 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -100.06 -47.39 5.01 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.989 0.423 . . . . 75.33 111.885 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.453 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 33.9 t -76.65 85.5 3.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.303 0.573 . . . . 61.11 111.818 -168.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -92.43 -57.47 2.68 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.881 -0.785 . . . . 74.22 108.881 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -164.1 143.98 8.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.344 -0.844 . . . . 73.35 109.345 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.94 79.89 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.495 -0.642 . . . . 64.43 111.495 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -84.79 161.55 19.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 72.5 111.204 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.59 142.73 15.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.633 -0.712 . . . . 64.15 109.554 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -165.38 175.46 9.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.678 0.275 . . . . 71.05 110.584 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 36.7 p90 -151.93 144.91 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 75.11 110.54 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.466 HG11 HG22 ' A' ' 50' ' ' VAL . 42.7 t -121.19 117.4 52.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 116.589 -0.278 . . . . 65.11 110.768 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.1 128.38 53.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.237 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -108.59 138.18 45.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.403 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.6 135.26 51.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 74.21 110.854 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.521 HD12 ' HG2' ' A' ' 21' ' ' GLU . 31.7 mm -105.29 140.82 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.895 -0.78 . . . . 71.44 108.895 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 102' ' ' LYS . 93.1 mtt180 -81.25 72.05 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 74.53 112.117 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.627 ' HB3' ' HZ2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER 173.31 179.76 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.939 -1.028 . . . . 74.21 108.664 168.552 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.173 -1.047 . . . . 74.15 108.173 173.694 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 111.564 -0.614 . . . . 64.43 111.564 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HG2' HG13 ' A' ' 11' ' ' ILE . 39.2 tt0 -140.44 -53.29 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.103 0.451 . . . . 74.15 110.47 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.464 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.4 mt -131.08 101.25 5.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.07 0.462 . . . . 74.03 110.192 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.61 115.62 30.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.434 -0.803 . . . . 73.41 110.166 -178.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 HG13 HD21 ' A' ' 97' ' ' LEU . 36.4 mm -104.35 107.56 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.755 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.36 116.78 29.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.898 -0.408 . . . . 72.32 109.898 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.5 tt -150.41 144.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 74.43 111.23 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.583 ' HG2' HG12 ' A' ' 15' ' ' ILE . 30.3 mm-40 51.16 36.93 16.94 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.119 0.568 . . . . 74.51 111.925 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 62.0 38.61 14.05 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.811 -0.631 . . . . 73.05 111.059 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.01 137.44 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.774 -0.648 . . . . 73.43 109.36 173.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.03 127.63 50.21 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.879 0.371 . . . . 60.31 110.247 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -119.63 162.68 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 72.23 109.646 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -135.84 146.1 47.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.911 -0.403 . . . . 74.44 109.911 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD21 HD11 ' A' ' 11' ' ' ILE . 61.6 tp -74.17 111.49 9.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.869 -0.419 . . . . 74.2 109.869 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.56 -9.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 73.15 111.726 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -168.47 137.52 2.31 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.289 -0.164 . . . . 74.03 111.155 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.416 HD21 ' HB3' ' A' ' 95' ' ' PHE . 24.0 t-20 -144.16 153.08 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 62.55 110.456 176.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 17.6 t80 -136.12 133.51 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.22 109.905 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 10.8 mmpt? 58.41 26.28 13.93 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.753 0.658 . . . . 75.31 111.585 175.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 61.4 27.8 17.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.09 -0.505 . . . . 54.11 110.983 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.61 3.95 5.76 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 116.168 -0.469 . . . . 75.33 113.921 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -83.26 112.13 19.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.459 0.63 . . . . 71.32 110.431 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 33' ' ' GLU . 3.7 t-20 -130.38 98.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.822 -0.807 . . . . 73.34 108.822 177.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 23.1 tt0 -54.9 -45.24 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.336 -0.393 . . . . 62.13 111.373 -172.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' ' ND2' ' A' ' 31' ' ' ASN . 13.0 pt-20 -55.2 -37.07 66.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.503 -0.317 . . . . 63.44 110.901 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -74.93 -45.69 40.83 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.266 -0.425 . . . . 75.3 110.18 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.62 -55.77 22.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 73.13 110.702 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.1 ptmt -68.62 -18.98 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 74.34 111.271 -175.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.07 -35.68 49.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 75.34 110.887 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 32.5 mmt180 -95.7 -19.48 19.66 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.143 -0.481 . . . . 74.03 111.113 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -67.13 147.41 53.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.449 -0.341 . . . . 73.53 110.905 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.44 ' HB3' HG23 ' A' ' 42' ' ' ILE . 46.4 t -148.1 168.51 22.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.049 -0.523 . . . . 71.32 110.185 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.6 -24.93 66.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 72.4 110.504 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 40' ' ' SER . 9.4 tp -61.35 -25.7 37.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 115.811 -0.631 . . . . 72.41 110.952 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -93.36 -12.17 30.56 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.92 -0.582 . . . . 71.42 111.545 -174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -64.52 -21.74 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.399 -0.364 . . . . 74.13 111.75 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -80.16 -12.88 59.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.294 0.479 . . . . 74.33 112.294 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -78.93 -34.57 44.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.934 0.346 . . . . 72.32 111.934 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 67.78 0.63 2.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.889 0.476 . . . . 73.14 111.365 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 40.3 m-85 -144.62 115.96 8.02 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.903 0.481 . . . . 74.22 109.777 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.9 mm -119.62 119.11 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.942 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.12 123.79 68.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.347 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -119.13 128.83 7.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.218 -0.515 . . . . 71.05 111.851 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . 10.0 t70 -126.54 146.14 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 73.31 109.713 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -85.27 -36.21 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 71.11 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.35 -82.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.579 0 C-N-CA 121.206 -0.521 . . . . 60.43 111.904 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -127.54 26.04 5.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.19 0.519 . . . . 74.24 109.927 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.78 2.04 46.15 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.796 -0.638 . . . . 75.21 111.966 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -92.04 76.14 5.46 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.624 -0.51 . . . . 75.13 109.624 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.54 97.44 0.59 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.305 0.574 . . . . 75.23 110.061 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -116.7 147.46 41.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 74.14 109.799 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.8 135.15 43.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.006 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -122.33 123.96 42.61 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.002 -0.74 . . . . 72.02 109.002 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.86 140.58 17.19 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.135 -0.555 . . . . 73.2 112.429 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.2 m-85 -139.53 163.31 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.675 -0.491 . . . . 73.31 109.675 176.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.95 159.61 18.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.464 -0.939 . . . . 75.43 108.464 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.83 108.29 1.42 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.408 0.623 . . . . 72.33 110.237 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 5.3 t70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.837 . . . . 73.12 111.383 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 113.462 0.912 . . . . 70.41 113.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -78.94 70.14 5.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.532 0.682 . . . . 73.32 109.635 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 66.6 mt -71.69 113.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 74.44 110.888 -176.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -53.85 -56.65 15.7 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.47 -0.332 . . . . 74.44 111.854 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -56.6 -25.95 54.23 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.864 0.364 . . . . 72.22 111.127 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 26.0 tp -77.14 -42.18 38.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.204 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.24 -42.05 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.204 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.89 -42.04 98.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.417 -0.81 . . . . 53.01 110.214 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -49.48 77.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.879 -0.6 . . . . 62.04 110.079 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -58.33 -38.11 67.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.709 . . . . 74.55 110.556 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.13 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 74.15 111.072 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.76 -59.77 2.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.98 0.419 . . . . 75.02 111.207 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.22 -49.7 7.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 75.52 111.841 -170.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 48.9 t -80.06 74.21 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.307 0.575 . . . . 75.31 110.327 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -83.13 -53.75 5.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 74.44 110.163 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -164.25 148.16 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.671 -0.695 . . . . 75.2 109.299 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.19 71.45 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.942 -0.647 . . . . 71.25 112.401 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -92.09 163.93 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.548 0.339 . . . . 75.43 110.12 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -154.92 99.14 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.021 -0.363 . . . . 75.02 110.021 -176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 51.6 p90 -118.81 163.13 17.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.068 0.461 . . . . 73.41 111.196 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.416 ' HB3' HD21 ' A' ' 25' ' ' ASN . 51.5 p90 -142.01 146.15 35.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.623 -0.717 . . . . 75.03 109.859 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.12 117.9 55.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.648 0.261 . . . . 74.45 110.456 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.48 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -103.84 132.27 50.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 72.25 110.282 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -107.43 128.74 54.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.428 -0.582 . . . . 73.13 109.428 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -78.64 126.74 31.16 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.338 -0.616 . . . . 72.3 109.338 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.06 -57.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.84 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG2' ' HG3' ' A' ' 102' ' ' LYS . 36.2 ttp-105 176.49 -53.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 74.25 109.62 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 101' ' ' ARG . 68.1 mttm -142.25 -167.46 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.342 -0.845 . . . . 73.42 109.536 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.511 -0.922 . . . . 64.42 108.511 174.831 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 110.549 -1.021 . . . . 74.31 110.549 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.39 -63.95 1.0 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.272 0.536 . . . . 74.53 110.016 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -136.54 87.65 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.749 -0.659 . . . . 73.31 109.47 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -84.4 122.44 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.346 -0.843 . . . . 74.41 110.167 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.506 HG13 HD21 ' A' ' 97' ' ' LEU . 36.1 mm -106.96 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.335 -0.393 . . . . 74.2 110.093 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 14' ' ' LEU . 7.1 mp -91.67 112.52 24.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.009 -0.367 . . . . 75.44 110.009 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.8 tt -143.97 139.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 73.54 110.063 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.536 ' HG2' HG12 ' A' ' 15' ' ' ILE . 29.1 mm-40 57.14 29.09 16.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.396 -0.365 . . . . 74.12 111.063 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 62.29 32.62 16.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.442 0.639 . . . . 74.43 110.918 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HA ' HD22 ' A' ' 103' ' ' LEU . . . -130.67 126.63 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.284 -0.871 . . . . 64.32 108.854 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HB2' HD12 ' A' ' 103' ' ' LEU . 34.3 tt0 -90.83 130.48 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 64.43 110.092 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -121.72 171.64 8.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 100' ' ' ILE . 8.1 pt-20 -145.25 147.81 32.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.881 0.372 . . . . 74.3 110.161 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.02 108.2 5.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 74.51 109.39 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.09 -25.48 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.107 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 20.0 t60 -147.84 132.86 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.617 -0.512 . . . . 72.34 109.617 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' ' 28' ' ' ASP . 45.0 t30 -142.09 143.61 33.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.667 -0.494 . . . . 74.31 109.667 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.504 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 43.0 t80 -131.95 118.43 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 74.0 110.596 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 18.2 ttmm 64.69 23.69 12.81 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.154 -0.93 . . . . 73.33 110.652 172.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.433 ' HA ' HD22 ' A' ' 25' ' ' ASN . 35.1 m-20 61.73 29.39 18.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.237 -0.892 . . . . 71.53 110.657 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.65 -11.86 60.77 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.796 -0.638 . . . . 64.12 112.328 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.3 120.85 13.52 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.037 0.446 . . . . 73.34 111.154 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.671 HD22 ' HZ2' ' A' ' 53' ' ' TRP . 3.3 p30 -147.91 103.38 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 75.43 110.349 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 35' ' ' PHE . 35.0 tt0 -55.13 -37.61 67.14 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.817 -0.629 . . . . 70.15 110.911 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.01 -46.24 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.897 -0.592 . . . . 73.14 111.633 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.61 -37.95 41.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 63.34 110.418 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . 57.8 t80 -52.88 -61.41 2.31 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.151 -0.931 . . . . 75.22 111.194 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.1 ptmm? -64.8 -30.92 71.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.882 -0.599 . . . . 73.41 111.026 -175.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.6 68.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.289 -0.414 . . . . 62.32 111.337 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 mmp_? -115.29 6.79 15.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.599 -0.273 . . . . 73.31 111.265 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -68.66 133.58 48.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.914 0.387 . . . . 74.2 110.936 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 t -123.01 149.75 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 75.24 109.882 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.98 -34.29 77.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.01 -0.541 . . . . 71.12 111.459 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 tp -56.32 -34.63 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.166 0.507 . . . . 74.44 110.677 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HB3' HD11 ' A' ' 49' ' ' ILE . 77.9 mt -69.05 -32.67 72.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.775 -0.648 . . . . 72.12 111.11 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.02 -33.19 68.69 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.887 -0.597 . . . . 74.21 111.252 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 5.4 tmmm? -70.65 -22.65 62.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.654 -0.703 . . . . 73.41 111.62 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.2 m-85 -76.1 -22.16 55.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.581 0.229 . . . . 74.44 111.478 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 46.8 m-20 71.01 1.23 3.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.121 0.568 . . . . 74.45 111.631 -177.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' OH ' ' NZ ' ' A' ' 98' ' ' LYS . 26.0 m-85 -139.4 118.29 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 71.5 110.222 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 43' ' ' LEU . 14.9 mm -110.82 113.88 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.386 -0.598 . . . . 74.42 109.386 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.08 113.93 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.878 -0.416 . . . . 73.42 109.878 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.71 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.973 -0.851 . . . . 73.13 110.973 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.98 154.6 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 73.3 110.227 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.671 ' HZ2' HD22 ' A' ' 31' ' ' ASN . 80.4 m95 -105.02 4.09 31.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.606 . . . . 74.5 110.169 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.99 -21.5 65.48 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.456 -0.402 . . . . 53.4 112.386 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.03 -13.02 43.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.665 0.386 . . . . 75.44 110.612 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.08 -46.42 1.17 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.635 -0.986 . . . . 51.1 110.635 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -115.99 171.49 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.894 -0.78 . . . . 65.2 108.894 172.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.66 101.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.245 -0.65 . . . . 65.22 109.245 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -111.4 137.99 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.864 -0.607 . . . . 74.42 110.812 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.56 133.1 49.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.117 -0.697 . . . . 74.23 109.117 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 4.4 tmtm? -127.42 132.62 50.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.698 -0.852 . . . . 73.51 108.698 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -98.38 131.75 10.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.289 -0.481 . . . . 74.51 112.157 -178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.543 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.4 m-85 -123.5 166.55 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.394 -0.595 . . . . 74.42 109.394 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.8 154.02 19.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.843 -0.428 . . . . 73.33 109.843 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.76 108.63 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.611 0.57 . . . . 54.24 109.603 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 16.5 t70 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.562 -0.745 . . . . 74.04 110.725 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.377 0.608 . . . . 64.3 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -140.44 138.14 34.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.593 -0.731 . . . . 73.44 109.525 176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.547 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 63.2 mt -125.73 116.32 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.624 -0.51 . . . . 64.22 109.624 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.1 t -57.23 -52.57 64.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 73.53 111.097 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -62.14 -22.96 66.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 71.33 110.926 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' O ' HG12 ' A' ' 84' ' ' ILE . 55.3 tp -74.74 -41.05 60.84 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.542 -0.299 . . . . 72.41 110.214 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.05 -36.64 65.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.506 0.67 . . . . 71.01 109.642 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.32 -40.46 44.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.205 -0.907 . . . . 64.24 110.293 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.01 -42.68 69.35 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.388 -0.823 . . . . 74.15 110.946 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 80' ' ' LEU . 48.5 mm -58.11 -42.75 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.929 -0.578 . . . . 65.14 110.807 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -62.51 -41.36 98.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.897 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.17 -42.59 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 61.35 111.165 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -97.18 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 65.54 112.292 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.2 t -74.23 -17.35 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 75.33 110.9 -173.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 47.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.059 0.763 . . . . 65.44 113.059 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.8 -10.77 59.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.876 0.37 . . . . 64.34 111.432 -169.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.06 55.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.413 -0.675 . . . . 75.51 111.413 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.749 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 22.5 p -62.84 -79.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.852 0.461 . . . . 73.34 111.35 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -179.48 142.23 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.888 -0.412 . . . . 73.42 109.888 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -167.3 168.22 13.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.374 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -147.58 148.65 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 72.41 110.252 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 48.6 t -125.88 123.44 64.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.83 0.348 . . . . 65.14 110.561 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.506 HD21 HG13 ' A' ' 13' ' ' ILE . 10.8 mp -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 73.23 110.119 176.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.409 ' NZ ' ' OH ' ' A' ' 48' ' ' TYR . 56.4 tttp -107.73 139.32 42.47 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.914 -0.402 . . . . 73.53 109.914 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 100' ' ' ILE . 3.6 tmm_? -75.48 120.24 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.334 -0.617 . . . . 71.12 109.334 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' HG2' ' A' ' 21' ' ' GLU . 41.4 mm -71.28 150.02 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 72.22 110.901 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -41.47 -40.54 1.82 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 73.41 111.778 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -174.69 -178.35 1.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.925 -0.58 . . . . 72.54 109.488 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 19' ' ' GLU . 3.7 mm? . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.942 0.401 . . . . 74.43 110.644 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 111.031 -0.827 . . . . 43.04 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.72 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 74.25 109.858 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 HD11 HD23 ' A' ' 22' ' ' LEU . 64.9 mt -128.01 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 73.21 109.498 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -90.13 119.83 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.577 -0.738 . . . . 64.41 110.661 -177.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -107.54 105.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 71.52 110.029 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.18 120.79 41.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.114 -0.328 . . . . 73.51 110.114 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG12 ' HG2' ' A' ' 16' ' ' GLN . 14.2 tt -147.43 142.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 74.42 110.107 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.3 mm100 56.51 24.39 8.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.645 0.378 . . . . 73.34 111.055 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.571 ' O ' HD21 ' A' ' 103' ' ' LEU . 20.3 m120 62.09 52.12 3.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.784 0.802 . . . . 75.31 109.957 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB2' HD22 ' A' ' 44' ' ' ASN . . . -138.94 117.96 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -1.218 . . . . 64.15 108.513 171.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 67.1 tt0 -90.77 114.72 27.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.44 -0.345 . . . . 71.53 110.842 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.52 171.2 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 75.21 109.702 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -142.31 150.59 41.01 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.974 -0.38 . . . . 74.23 109.974 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 11' ' ' ILE . 59.0 tp -77.66 109.3 11.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.604 -0.517 . . . . 74.55 109.604 176.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.03 -20.13 5.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.659 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.4 t60 -150.75 132.67 15.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.689 0.28 . . . . 75.43 110.737 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -132.95 146.44 51.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.756 -0.831 . . . . 74.23 108.756 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.55 114.86 11.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.514 -0.55 . . . . 72.25 109.514 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 60.18 28.19 17.74 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.475 0.484 . . . . 64.41 110.992 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 58.69 34.63 23.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.796 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -13.86 64.31 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.382 -0.826 . . . . 75.41 112.542 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.15 119.87 10.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.872 0.368 . . . . 74.34 110.541 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -138.2 107.79 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.989 -0.745 . . . . 71.04 108.989 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -69.19 -47.23 65.45 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.338 0.399 . . . . 74.14 111.651 -171.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.11 -44.64 96.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.617 0.246 . . . . 73.13 110.716 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.3 66.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 74.12 110.677 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.14 -60.65 3.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 74.34 110.401 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -69.18 -20.24 64.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 73.53 110.947 -175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.72 -29.14 62.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.4 . . . . 74.11 110.732 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -101.17 -9.99 20.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.263 -0.426 . . . . 74.3 111.395 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' HH ' ' HB2' ' A' ' 44' ' ' ASN . 68.6 t80 -66.44 124.8 23.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 73.42 111.066 -177.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -119.68 152.6 36.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 72.42 109.119 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.853 0.316 . . . . 64.52 111.853 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 tp -57.76 -31.06 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.995 0.426 . . . . 71.32 111.145 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.6 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 86.8 mt -76.58 -15.63 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.314 -176.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.582 ' HB2' ' HH ' ' A' ' 39' ' ' TYR . 28.5 t-20 -68.17 -22.84 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.85 -175.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 19.1 ptpt -87.02 -4.4 59.17 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.706 0.261 . . . . 74.24 111.706 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 79.6 m-85 -88.31 -39.1 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.688 0.28 . . . . 74.54 110.755 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 73.01 1.69 4.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.666 -0.697 . . . . 63.22 111.627 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -136.56 115.88 12.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 74.3 109.062 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.504 HD13 ' HB3' ' A' ' 43' ' ' LEU . 15.5 mm -115.35 121.27 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 74.51 110.293 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.22 120.67 59.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.134 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.17 121.7 6.98 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.831 -0.699 . . . . 65.13 111.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -109.73 135.81 50.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.894 0.378 . . . . 71.44 110.592 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.68 34.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.971 0.415 . . . . 74.32 110.302 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.74 91.95 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.741 -0.663 . . . . 72.34 113.419 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -129.43 83.5 2.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.176 0.488 . . . . 73.22 110.761 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.92 -91.76 0.05 OUTLIER Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.714 -0.675 . . . . 73.13 113.079 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -78.42 140.41 38.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.298 -0.63 . . . . 74.53 109.298 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.44 133.52 55.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.509 0.671 . . . . 73.14 110.856 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -94.38 129.32 41.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.996 -1.002 . . . . 65.32 108.352 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 39' ' ' TYR . 11.6 tp -101.43 109.43 21.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 75.32 110.191 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -105.73 158.73 16.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.341 -0.845 . . . . 73.22 109.715 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.84 146.37 16.92 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.665 -0.574 . . . . 63.22 111.665 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.73 167.07 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.787 -0.449 . . . . 74.52 109.787 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -105.51 170.06 8.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.335 . . . . 75.03 110.382 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.71 132.32 51.68 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.31 -0.405 . . . . 73.24 110.471 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.538 ' HB3' HG23 ' A' ' 77' ' ' ILE . 35.3 t70 . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 109.378 -0.601 . . . . 64.22 109.378 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.913 0.387 . . . . 72.31 111.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.12 148.36 52.48 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.567 -0.288 . . . . 75.41 110.578 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 66' ' ' ASP . 74.6 mt -141.23 131.5 26.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.698 -0.482 . . . . 73.54 109.698 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -63.27 -57.28 10.96 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.562 -0.29 . . . . 72.31 111.158 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -58.08 -24.82 60.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.011 0.434 . . . . 61.4 110.986 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 ' O ' HG12 ' A' ' 84' ' ' ILE . 30.5 tp -70.88 -49.52 45.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.081 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.83 -39.12 65.28 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.012 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.61 -47.91 74.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.34 -0.846 . . . . 75.25 110.713 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -60.29 -36.25 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.692 -0.685 . . . . 74.14 110.949 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -63.73 -41.44 92.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.493 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.96 -27.23 63.24 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.365 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -77.1 -16.8 59.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.326 . . . . 71.35 111.347 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -132.76 -76.37 0.49 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.136 0.421 . . . . 72.33 112.136 -174.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.831 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 85.3 m -87.03 97.96 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 74.24 112.145 -171.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.56 -35.67 3.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.715 -0.675 . . . . 72.4 109.605 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -139.08 115.26 10.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.385 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.67 -42.86 2.29 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.534 -0.365 . . . . 70.43 113.031 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.831 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 51.5 t -56.1 129.77 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.153 0.581 . . . . 71.15 110.307 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 162.84 15.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 54.4 110.961 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -163.98 176.36 9.46 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.401 -0.363 . . . . 75.45 110.671 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.7 151.87 34.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.483 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 61.7 t -127.22 122.84 60.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 120.71 0.291 . . . . 74.4 111.126 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.66 135.49 48.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.956 -0.565 . . . . 75.45 110.432 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -109.49 141.45 41.92 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.273 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 37.8 tpt85 -75.93 128.37 34.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 72.4 111.087 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.644 HG23 ' H ' ' A' ' 102' ' ' LYS . 45.8 mm -78.34 154.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 73.03 109.857 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.67 -7.2 53.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.95 0.405 . . . . 74.44 111.107 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.644 ' H ' HG23 ' A' ' 100' ' ' ILE . 1.7 mmpt? -106.02 -167.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.312 0.577 . . . . 74.14 111.308 -177.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.571 HD21 ' O ' ' A' ' 17' ' ' ASN . 2.4 tm? . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.646 -1.242 . . . . 75.31 107.646 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 111.084 -0.806 . . . . 64.52 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.27 -63.51 1.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.887 0.375 . . . . 73.41 110.455 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.468 HD11 HD21 ' A' ' 22' ' ' LEU . 63.7 mt -135.44 86.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.196 -0.668 . . . . 71.34 109.196 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.12 132.13 36.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.353 -0.84 . . . . 74.42 110.729 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 HD22 ' A' ' 97' ' ' LEU . 29.8 mm -120.2 98.98 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 74.11 109.222 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -100.94 111.87 24.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.238 -0.437 . . . . 73.54 109.915 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.1 tt -141.21 130.04 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.331 -0.395 . . . . 75.23 110.876 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.572 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.3 mm-40 54.42 44.3 29.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.102 -0.499 . . . . 64.13 111.579 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 65.98 18.92 11.18 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.011 -0.54 . . . . 72.21 111.783 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.38 122.49 46.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.024 -0.362 . . . . 75.32 110.024 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.98 113.53 27.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 74.53 110.881 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.48 172.47 7.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.761 -0.654 . . . . 71.24 109.482 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -148.58 152.78 37.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.018 -0.364 . . . . 71.41 110.018 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 11' ' ' ILE . 60.7 tp -75.69 106.71 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 64.35 110.247 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.0 -17.69 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.4 -0.364 . . . . 75.3 111.395 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -158.85 133.74 8.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.601 -0.272 . . . . 72.24 110.838 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -131.98 151.22 51.86 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.366 -0.605 . . . . 60.3 109.366 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -137.86 121.7 17.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.207 -0.664 . . . . 75.2 109.207 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 11.4 ttmm 61.02 24.12 14.24 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.842 0.714 . . . . 74.23 110.409 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 t70 58.04 34.97 24.8 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.012 -0.994 . . . . 71.33 110.438 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.82 -13.67 61.79 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.687 -0.688 . . . . 75.45 112.679 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -64.6 120.3 12.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 73.21 111.23 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -138.62 104.47 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.964 -0.754 . . . . 74.34 108.964 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.75 -48.21 59.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.303 0.377 . . . . 73.12 110.899 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -57.14 -40.91 78.12 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.886 -0.597 . . . . 74.2 111.122 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.64 68.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.412 -0.358 . . . . 64.31 110.459 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.86 -56.87 16.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 73.45 110.52 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.66 -19.41 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 75.13 111.159 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.24 52.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 74.13 110.604 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 11.8 mmp_? -94.24 -8.29 39.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.22 -0.445 . . . . 74.22 111.238 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -64.21 150.9 44.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.247 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -153.18 165.0 37.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.124 -0.489 . . . . 64.31 109.825 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.78 -35.11 79.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.445 -0.343 . . . . 74.43 111.571 -174.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.1 tp -54.19 -33.28 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.024 0.44 . . . . 74.43 111.088 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 94.8 mt -65.96 -20.38 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.128 -0.487 . . . . 75.25 111.701 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.56 -25.39 68.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.363 -0.381 . . . . 74.31 111.749 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -75.19 -12.89 60.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.668 0.271 . . . . 74.12 111.301 -176.4 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -91.18 -47.3 7.6 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.431 -0.349 . . . . 73.45 110.345 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 71.09 1.47 3.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.396 -0.82 . . . . 72.51 111.316 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -134.43 114.51 12.97 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.827 -0.805 . . . . 73.32 108.827 173.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 29.2 mm -118.2 119.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.09 -0.337 . . . . 72.34 110.09 -176.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 45.9 t -117.19 107.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.271 -0.422 . . . . 63.34 110.286 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -89.7 121.62 6.19 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.232 -0.747 . . . . 74.52 111.232 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.72 159.07 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 73.43 111.052 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.436 ' HB2' ' HB1' ' A' ' 93' ' ' ALA . 70.7 m95 -123.49 30.98 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.059 -0.973 . . . . 75.32 108.756 175.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.15 -54.24 2.05 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.545 -0.752 . . . . 43.34 114.642 -170.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -124.05 37.6 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.043 0.449 . . . . 72.02 110.728 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.72 21.59 63.51 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.976 -0.556 . . . . 55.44 111.931 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -120.95 114.52 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.831 -0.433 . . . . 72.02 109.831 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.417 HD23 ' NE1' ' A' ' 53' ' ' TRP . 3.2 tm? -83.24 106.01 14.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.383 -0.599 . . . . 73.35 109.383 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 17.1 mtp180 -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 75.45 110.16 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -97.91 114.78 26.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 74.54 110.465 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -103.21 129.26 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 72.54 109.445 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.18 145.01 17.39 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 121.071 -0.585 . . . . 75.34 112.629 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -139.8 169.74 17.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.886 0.374 . . . . 74.2 110.566 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.72 155.25 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.93 -0.766 . . . . 73.52 108.93 175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.83 108.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.162 0.506 . . . . 74.15 110.357 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 109.182 -0.673 . . . . 75.23 109.182 175.414 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.1 p . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.849 0.357 . . . . 64.24 110.668 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.28 85.55 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.329 0.585 . . . . 71.33 110.777 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 71.6 mt -75.42 125.36 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.736 -0.665 . . . . 73.41 109.788 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -63.66 -40.61 97.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 72.14 110.183 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -37.34 67.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.674 -0.694 . . . . 75.4 110.487 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 84' ' ' ILE . 35.5 tp -67.44 -42.3 83.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 74.02 110.269 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.96 -27.4 69.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.631 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 44.1 mt-10 -68.97 -42.8 76.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.165 0.507 . . . . 73.24 109.694 174.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.62 -43.29 97.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.45 -0.795 . . . . 73.42 110.027 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -65.92 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.546 -0.752 . . . . 73.02 110.273 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 82' ' ' GLU . 12.2 t80 -55.63 -38.97 70.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.668 -0.696 . . . . 73.32 111.135 177.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -43.36 79.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.51 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.09 -56.62 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 70.41 111.829 -175.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.0 m -74.38 91.41 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 73.41 112.454 -171.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.09 -32.04 11.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.849 -0.797 . . . . 74.11 108.849 167.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -162.22 -66.69 0.05 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.439 -0.8 . . . . 73.11 110.363 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.4 103.14 3.01 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.344 -0.455 . . . . 61.03 112.389 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.66 179.74 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.963 -0.384 . . . . 71.42 109.963 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 53' ' ' TRP . . . -162.38 149.69 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.476 -0.564 . . . . 74.14 109.476 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.88 165.84 7.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.636 0.255 . . . . 75.44 110.712 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 46.8 p90 -143.6 140.87 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.326 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.46 119.38 61.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.624 0.249 . . . . 74.42 110.972 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD22 HG13 ' A' ' 13' ' ' ILE . 9.6 mp -104.94 131.48 52.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.063 174.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.86 139.5 49.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 74.25 110.695 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -65.39 140.55 58.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.168 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.496 HG21 ' HG2' ' A' ' 101' ' ' ARG . 44.5 mm -97.82 -82.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.623 0.231 . . . . 72.32 111.623 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.496 ' HG2' HG21 ' A' ' 100' ' ' ILE . 5.3 ptp180 -153.96 -170.53 3.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.014 0.435 . . . . 75.43 111.099 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 28.6 mmmt -65.74 127.06 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.606 -0.725 . . . . 75.43 109.563 171.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.237 0.407 0 O-C-N 123.471 0.482 . . . . 74.14 111.125 -179.165 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 110.808 -0.917 . . . . 65.4 110.808 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.56 -45.16 91.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.66 -0.496 . . . . 72.11 109.66 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD11 HD21 ' A' ' 22' ' ' LEU . 58.5 mt -136.7 81.75 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.602 -0.726 . . . . 74.25 109.173 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -83.39 123.43 29.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 75.43 110.078 -179.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 HG13 HD23 ' A' ' 97' ' ' LEU . 36.8 mm -105.8 98.83 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.081 0.467 . . . . 75.33 110.475 -177.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.52 111.63 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 74.11 109.322 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.557 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.0 tt -137.77 132.41 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.356 -0.384 . . . . 74.32 110.483 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.557 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.2 mm100 56.43 33.92 23.33 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.298 -0.41 . . . . 72.12 111.143 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 66.19 27.56 10.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.957 -0.565 . . . . 75.44 110.64 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.53 141.6 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.639 . . . . 62.22 109.295 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -110.45 114.65 28.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.689 0.281 . . . . 74.11 110.822 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.39 171.12 12.84 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.131 0.572 . . . . 61.04 110.05 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' HD12 ' A' ' 100' ' ' ILE . 7.3 pt-20 -146.5 156.67 43.44 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.547 -0.538 . . . . 61.44 109.547 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 11' ' ' ILE . 58.3 tp -85.15 105.94 16.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.188 -0.301 . . . . 71.45 110.188 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.92 -22.76 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 74.1 111.416 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 17.3 t60 -154.73 138.98 16.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.409 -0.36 . . . . 71.31 110.901 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -139.7 153.97 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.403 -0.591 . . . . 74.13 109.403 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -148.62 131.82 16.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.12 110.821 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 62.11 25.59 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.437 -0.801 . . . . 64.51 111.338 171.188 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.3 21.96 12.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.254 -0.43 . . . . 71.23 111.085 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.0 72.0 Favored Glycine 0 C--O 1.238 0.403 0 CA-C-N 116.035 -0.53 . . . . 74.35 112.579 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -64.34 99.05 0.27 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.279 0.561 . . . . 74.24 111.203 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -123.6 109.21 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.69 . . . . 73.42 109.227 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -51.22 -42.09 60.73 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.857 0.361 . . . . 75.33 110.464 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.8 -39.15 65.25 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.524 -0.762 . . . . 71.32 111.396 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.32 -38.24 42.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.254 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.36 -56.73 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.584 -0.735 . . . . 74.51 110.764 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -66.19 -21.55 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 71.34 111.491 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.8 -18.78 42.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.799 0.333 . . . . 74.42 111.194 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -115.12 -14.38 11.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.341 -0.391 . . . . 74.23 111.375 -177.382 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.92 138.14 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.366 0.603 . . . . 72.01 111.772 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.7 m -144.65 148.32 34.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.177 -0.92 . . . . 75.42 109.153 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.65 -31.36 64.31 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.793 0.33 . . . . 74.33 111.718 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.54 -25.28 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.062 -0.517 . . . . 75.01 111.559 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 49' ' ' ILE . 87.1 mt -79.05 -27.57 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.43 -0.35 . . . . 74.24 111.61 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.06 -33.11 71.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.347 -0.388 . . . . 74.44 111.822 -175.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -3.09 12.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.037 0.384 . . . . 72.35 112.037 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -90.6 -19.97 23.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.426 0.155 . . . . 74.21 111.121 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 69.74 -0.55 2.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.206 0.602 . . . . 72.12 111.286 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 70.6 m-85 -147.83 125.75 12.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.068 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 43' ' ' LEU . 37.1 mm -111.62 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 75.0 109.645 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 61.6 t -118.51 112.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 71.54 110.204 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -115.2 121.92 5.45 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.664 -0.574 . . . . 75.31 111.664 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -118.74 142.91 47.25 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.888 -0.412 . . . . 64.54 109.888 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.452 ' HD1' ' O ' ' A' ' 93' ' ' ALA . 60.0 m95 -76.99 -34.22 57.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.017 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.49 -92.67 0.03 OUTLIER Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.945 -0.57 . . . . 74.14 112.139 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -93.92 -29.9 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 70.24 110.146 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.78 -36.35 0.5 Allowed Glycine 0 N--CA 1.454 -0.133 0 CA-C-N 115.919 -0.582 . . . . 73.41 112.018 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.49 90.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 73.33 110.352 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.76 113.63 2.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.333 -0.849 . . . . 74.52 110.677 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -122.3 143.33 49.68 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.089 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.1 mp -94.49 133.64 37.88 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.953 0.406 . . . . 75.24 110.486 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -131.0 138.76 49.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.052 -0.722 . . . . 75.42 109.052 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.75 147.24 18.52 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.95 -0.643 . . . . 61.52 112.285 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.0 m-85 -138.46 166.31 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.676 -0.49 . . . . 75.34 109.676 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.71 146.2 42.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.126 -0.488 . . . . 74.32 109.87 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' A' ' 77' ' ' ILE . 4.7 p-10 -67.37 120.24 13.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.995 0.426 . . . . 73.33 111.216 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 . . . . . 0 C--O 1.235 0.341 0 CA-C-O 121.282 0.563 . . . . 64.51 109.648 175.525 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.578 HG21 ' HD2' ' A' ' 98' ' ' LYS . 73.4 p . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.202 0.445 . . . . 75.21 112.202 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -96.5 117.55 31.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.005 0.431 . . . . 75.22 109.989 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 65' ' ' ASP . 59.7 mt -110.75 121.4 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.34 109.968 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -78.71 -42.57 27.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.498 -0.319 . . . . 65.35 111.108 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -66.68 -15.91 63.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.046 0.451 . . . . 74.43 110.518 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 HD13 HG12 ' A' ' 50' ' ' VAL . 37.4 tp -66.4 -41.8 88.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.732 -0.667 . . . . 65.34 110.335 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.48 -39.71 77.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.717 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 39.0 mt-10 -60.62 -50.13 74.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.711 -0.677 . . . . 75.55 110.001 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -58.68 -48.96 79.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.364 -0.835 . . . . 75.53 110.297 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -60.05 -41.13 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 72.05 110.539 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.28 -42.99 99.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.418 -0.355 . . . . 72.43 110.831 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 62.2 mm-40 -60.24 -32.49 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 72.31 110.683 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.96 -16.85 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 75.51 112.003 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 92' ' ' CYS . 25.9 t -154.3 119.56 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.089 0.774 . . . . 72.34 113.089 -171.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -105.79 -43.47 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.026 -1.101 . . . . 65.03 108.026 163.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -142.98 84.52 1.84 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.964 -1.017 . . . . 74.24 109.574 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.45 94.37 0.15 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.844 -0.693 . . . . 75.35 112.457 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 88' ' ' CYS . 5.7 p -175.87 168.53 3.02 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 122.602 0.361 . . . . 74.13 110.564 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' HD1' ' A' ' 53' ' ' TRP . . . -163.35 105.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.415 -0.587 . . . . 72.23 109.415 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 44.7 p90 -131.26 162.11 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 75.53 111.563 -173.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 43.8 p90 -133.78 147.51 51.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.259 -0.882 . . . . 71.21 109.792 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 42.8 t -122.94 116.91 50.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 123.277 0.36 . . . . 75.43 110.44 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.463 HD23 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -106.92 148.98 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.938 -0.574 . . . . 74.21 109.943 174.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.578 ' HD2' HG21 ' A' ' 75' ' ' THR . 61.8 tttp -116.44 148.2 40.96 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.156 -0.313 . . . . 73.3 110.156 175.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -78.75 111.96 15.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.138 0.494 . . . . 73.34 110.036 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.596 HG23 ' H ' ' A' ' 101' ' ' ARG . 24.4 mm -73.86 172.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.827 -0.624 . . . . 74.24 110.189 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.596 ' H ' HG23 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -50.56 -75.51 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.637 0.375 . . . . 72.24 111.891 -178.304 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.663 ' HB2' ' HZ1' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.32 156.34 1.21 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.972 0.415 . . . . 72.32 111.171 -178.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 103' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.302 -0.863 . . . . 73.12 111.198 -173.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 N-CA-C 111.288 -0.725 . . . . 72.11 111.288 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -125.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.999 -0.741 . . . . 65.32 108.999 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.16 89.81 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.495 -0.775 . . . . 75.34 109.316 174.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.22 134.38 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.21 -0.904 . . . . 71.12 110.378 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.525 HG13 HD22 ' A' ' 97' ' ' LEU . 35.6 mm -113.84 99.88 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.431 -0.35 . . . . 74.42 110.504 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -94.61 114.16 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.142 -0.318 . . . . 75.23 110.142 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.543 HG12 ' HG2' ' A' ' 16' ' ' GLN . 12.2 tt -150.1 137.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 75.21 110.712 -177.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG2' HG12 ' A' ' 15' ' ' ILE . 32.9 mm-40 56.46 47.24 19.2 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.771 0.428 . . . . 74.23 111.52 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 m120 68.78 11.36 8.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.433 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . . . -118.43 148.97 42.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 61.24 111.288 -176.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HB2' HD23 ' A' ' 103' ' ' LEU . 39.2 tt0 -117.6 113.37 21.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.993 -0.549 . . . . 74.34 110.044 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 95.8 m-85 -111.21 171.99 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.709 0.403 . . . . 74.44 110.471 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -141.93 148.54 38.84 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.0 tp -79.24 103.3 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 75.32 110.039 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.96 -13.56 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.564 -0.289 . . . . 75.22 111.562 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -158.67 133.13 8.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 110.409 -0.219 . . . . 73.42 110.409 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.34 148.65 38.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.85 -0.796 . . . . 73.54 108.85 175.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 4.2 t80 -151.25 124.72 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.537 -0.542 . . . . 74.52 109.537 -176.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.7 mptp? 56.96 34.48 24.95 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.562 0.539 . . . . 74.44 110.94 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 54.52 31.67 15.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.593 -0.731 . . . . 73.43 111.18 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.97 -28.35 60.75 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 111.485 -0.646 . . . . 65.5 111.485 175.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -65.46 104.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.945 0.402 . . . . 73.51 110.303 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -127.53 99.0 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.75 -0.833 . . . . 71.2 108.75 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -50.94 -43.6 60.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.941 -0.572 . . . . 73.34 112.173 -171.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.05 -44.9 83.44 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.835 0.35 . . . . 71.03 110.563 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.86 76.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.303 -0.408 . . . . 74.52 110.27 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -58.85 -61.61 2.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.686 -0.688 . . . . 62.24 110.486 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -63.62 -29.11 70.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.856 -0.611 . . . . 74.3 111.103 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.61 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 60.1 111.351 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.75 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -108.17 -0.97 20.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.673 -0.24 . . . . 75.14 111.445 -178.29 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.68 137.33 44.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 110.203 -0.295 . . . . 73.34 110.203 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -141.99 160.11 40.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.342 -0.39 . . . . 70.15 110.296 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.45 -29.66 70.91 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.889 -0.596 . . . . 75.14 111.076 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.46 -28.57 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 73.45 110.669 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HB3' HD13 ' A' ' 49' ' ' ILE . 70.5 mt -86.82 -21.08 26.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.795 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.9 -27.55 68.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.637 -0.71 . . . . 74.11 110.833 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 4.6 ttmp? -72.1 -16.37 62.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 73.35 112.051 -175.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 87.0 m-85 -86.85 -34.96 19.3 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.886 0.699 . . . . 74.13 112.886 -172.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' CG ' HH21 ' A' ' 99' ' ' ARG . 1.9 m-20 72.93 0.32 3.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.285 0.634 . . . . 73.54 111.823 -175.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 73.9 m-85 -137.44 122.26 18.8 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.338 -0.616 . . . . 74.25 109.338 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.414 HD13 ' HB3' ' A' ' 43' ' ' LEU . 42.5 mm -120.68 119.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.669 0.271 . . . . 71.33 110.434 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 96' ' ' VAL . 61.9 t -113.8 137.15 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 65.41 109.505 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.14 123.85 4.56 Favored Glycine 0 N--CA 1.454 -0.155 0 N-CA-C 111.482 -0.647 . . . . 71.23 111.482 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.37 151.17 37.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.984 0.421 . . . . 64.32 110.46 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -108.47 32.09 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.592 -0.731 . . . . 64.03 109.649 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.08 -57.24 11.57 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.975 -0.557 . . . . 50.24 113.238 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -92.73 21.01 5.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.894 0.378 . . . . 73.32 110.663 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.03 15.59 74.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.0 -0.619 . . . . 72.13 111.822 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -125.62 114.48 18.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.106 -0.702 . . . . 75.44 109.106 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.55 109.22 5.35 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 110.027 -0.36 . . . . 75.04 110.027 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -119.06 138.1 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 74.44 109.932 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.47 112.18 24.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.011 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.4 tmtm? -104.02 128.05 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.552 -0.907 . . . . 74.22 108.552 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.86 147.17 18.48 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.739 -0.743 . . . . 73.45 112.443 -177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 97.7 m-85 -134.64 163.73 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.829 -0.434 . . . . 74.03 109.829 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -104.16 159.05 16.01 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.328 -0.619 . . . . 74.54 109.328 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.79 123.95 17.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.742 -0.466 . . . . 73.32 109.742 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 30.4 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.33 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.574 HG21 ' HD2' ' A' ' 98' ' ' LYS . 35.7 p . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.937 0.399 . . . . 74.23 110.651 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -77.84 130.83 37.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.12 110.365 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.536 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 67.1 mt -128.13 111.85 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.176 -0.676 . . . . 72.13 109.176 176.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -58.8 -41.55 87.01 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.73 0.3 . . . . 75.21 111.409 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -71.59 -12.17 61.22 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.769 -0.196 . . . . 75.02 111.238 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 56.4 tp -66.04 -49.63 67.03 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.258 -0.645 . . . . 73.22 109.258 174.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.51 -46.93 66.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.265 -0.88 . . . . 61.45 109.983 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.95 -43.37 81.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.218 -0.901 . . . . 71.34 111.073 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -70.65 -48.25 55.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.007 -0.542 . . . . 74.34 110.722 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.95 -36.73 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.556 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -57.58 -31.5 66.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.779 -0.646 . . . . 73.25 110.998 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.22 -31.73 73.04 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.212 -0.449 . . . . 62.32 111.134 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -107.56 -64.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.521 0.677 . . . . 74.52 111.199 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 1.9 t -108.12 114.82 29.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.277 -0.874 . . . . 71.32 111.109 -168.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 89' ' ' ASN . 0.8 OUTLIER -106.95 -35.81 6.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.077 0.465 . . . . 75.24 110.209 176.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -101.95 9.2 40.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.962 -0.563 . . . . 75.33 111.36 -172.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.33 123.82 0.92 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 121.044 -0.598 . . . . 73.0 112.628 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.2 p -158.93 -167.29 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.929 -0.397 . . . . 63.05 109.929 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 114.61 8.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.221 0.452 . . . . 74.04 112.221 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -166.36 167.46 15.85 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.741 -0.663 . . . . 75.22 109.603 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.82 163.58 39.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.622 0.231 . . . . 72.41 111.622 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 50' ' ' VAL . 41.7 t -137.41 131.69 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.919 -0.582 . . . . 74.33 110.151 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -121.29 142.86 49.55 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.688 0.395 . . . . 72.42 111.053 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.574 ' HD2' HG21 ' A' ' 75' ' ' THR . 54.6 tttp -118.73 140.62 49.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.464 -0.569 . . . . 74.15 109.464 173.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 33.2 ttp180 -86.06 122.36 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 75.41 110.674 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 28.4 mm -65.74 -25.1 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 71.3 111.293 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 62.7 ttt180 76.13 -33.54 0.22 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.157 0.583 . . . . 74.4 111.362 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 100' ' ' ILE . 64.9 mttm -74.98 26.75 0.09 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.988 0.515 . . . . 72.52 112.101 -175.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.4 tm? . . . . . 0 C--O 1.236 0.344 0 N-CA-C 109.427 -0.583 . . . . 64.4 109.427 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 110.905 -0.878 . . . . 73.04 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.15 -64.4 0.85 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 73.02 110.008 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.456 HD12 HD21 ' A' ' 22' ' ' LEU . 53.8 mt -117.04 84.93 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.618 -0.882 . . . . 74.41 108.618 174.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.62 131.95 36.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.6 -1.182 . . . . 74.3 110.499 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 16.7 mm -117.16 100.37 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.447 -0.575 . . . . 74.02 109.447 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.34 111.58 23.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.085 -0.339 . . . . 75.14 110.085 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.569 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.7 tt -150.62 137.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 74.42 110.66 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.569 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 54.23 46.83 24.43 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.895 -0.593 . . . . 74.14 111.458 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 62.82 28.66 16.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.813 -0.63 . . . . 65.22 111.736 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 135.15 38.62 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.599 -0.273 . . . . 64.32 110.955 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -95.94 116.56 29.11 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.565 -0.532 . . . . 55.01 109.565 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 43.1 m-85 -107.38 160.4 15.66 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.29 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HG2' HD13 ' A' ' 100' ' ' ILE . 13.8 pt-20 -124.6 133.19 53.35 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.543 -0.54 . . . . 63.14 109.543 172.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 11' ' ' ILE . 53.6 tp -77.31 103.47 7.26 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.089 -0.708 . . . . 73.5 109.089 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.553 HG13 HG21 ' A' ' 75' ' ' THR . 12.9 m -90.08 -25.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 74.23 111.51 -173.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -154.8 132.28 11.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.301 . . . . 72.33 110.336 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB2' HD23 ' A' ' 22' ' ' LEU . 39.9 t30 -127.85 108.91 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.221 -0.659 . . . . 64.44 109.221 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 56.5 t80 -95.3 113.39 25.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 73.12 110.411 -173.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 59.05 34.75 23.65 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.003 -0.544 . . . . 65.21 111.098 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.22 19.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.13 -0.486 . . . . 74.14 111.119 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -19.8 60.7 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.197 -0.525 . . . . 64.35 112.378 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.12 136.67 42.95 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.014 0.435 . . . . 75.1 111.117 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -151.58 121.78 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.377 -0.829 . . . . 73.21 108.809 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.45 -51.67 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 75.14 111.902 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 11.7 pt-20 -64.92 -32.42 74.12 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 121.179 -0.208 . . . . 75.34 111.361 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.32 67.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.849 0.357 . . . . 72.52 110.39 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.1 -58.23 9.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 65.23 110.817 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 33' ' ' GLU . 13.8 ptmm? -57.83 -31.06 66.25 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 62.41 111.608 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.09 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.393 -0.367 . . . . 61.52 111.341 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -106.51 -3.49 20.81 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.901 0.334 . . . . 74.03 111.901 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -76.74 148.71 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.136 -0.32 . . . . 74.32 110.136 176.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.3 t -149.05 155.47 40.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.623 -0.51 . . . . 74.04 109.623 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.03 -23.86 67.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.427 -0.351 . . . . 75.2 111.52 -176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 tp -61.36 -28.42 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 121.134 0.493 . . . . 75.34 110.349 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB3' HD13 ' A' ' 49' ' ' ILE . 87.6 mt -83.54 -18.64 37.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.927 -0.579 . . . . 75.24 111.566 -176.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.19 -34.61 78.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.418 -0.356 . . . . 71.43 111.57 -173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -63.79 -15.76 59.54 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.116 -0.493 . . . . 70.25 112.182 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.532 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.8 m-85 -81.7 -22.87 37.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.601 0.239 . . . . 74.14 111.204 -175.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.38 0.2 1.67 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.292 0.637 . . . . 74.21 112.007 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -145.39 117.07 8.13 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.935 0.398 . . . . 72.21 110.413 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 43' ' ' LEU . 37.7 mm -115.41 117.42 55.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.621 . . . . 75.32 110.14 -178.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.9 t -119.16 116.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.035 -0.357 . . . . 62.45 110.035 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -104.87 129.75 9.96 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.17 -0.772 . . . . 60.15 111.17 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -108.99 154.02 22.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.287 0.565 . . . . 72.02 111.461 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.84 31.46 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.989 -1.005 . . . . 75.03 109.158 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.505 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . -49.5 -41.11 32.79 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.738 -0.665 . . . . 70.04 114.177 -170.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -123.47 19.94 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.476 0.655 . . . . 73.42 109.528 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.84 46.9 21.67 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.264 -1.134 . . . . 72.12 110.264 -169.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 9.2 pt20 -133.46 93.86 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.994 -0.603 . . . . 74.42 109.861 -173.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -70.08 91.77 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 73.43 110.022 -175.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 40.3 mtp180 -120.71 129.87 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 71.11 110.196 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.84 112.21 24.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.846 0.355 . . . . 65.54 110.126 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.537 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.9 tmtt? -107.13 130.4 54.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.133 -0.691 . . . . 74.3 109.133 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.63 139.75 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.242 -0.504 . . . . 72.3 112.086 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.9 m-85 -129.0 162.08 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.327 -0.249 . . . . 71.54 110.327 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -103.04 165.07 11.24 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.656 -0.498 . . . . 71.25 109.656 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.27 122.67 20.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 74.41 110.829 -176.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.09 -0.707 . . . . 71.41 109.09 171.295 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.553 HG21 HG13 ' A' ' 23' ' ' VAL . 41.9 p . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.577 0.227 . . . . 75.2 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 76' ' ' LYS . 26.7 mmtm -147.02 119.81 8.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.28 0.562 . . . . 74.13 110.871 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.7 mt -119.95 128.41 75.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.585 -0.734 . . . . 75.12 109.411 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -76.57 -49.65 15.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 75.31 110.439 -174.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -64.17 -24.93 67.86 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.042 -0.527 . . . . 75.14 110.752 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.38 -34.92 74.58 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.464 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.16 -45.84 91.69 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.237 0.542 . . . . 72.22 109.901 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.0 mm-40 -65.55 -42.34 91.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.372 -0.831 . . . . 70.22 110.108 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -61.19 -55.76 28.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.17 -0.923 . . . . 75.2 111.11 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.78 -37.16 70.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.333 -0.394 . . . . 74.51 110.787 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -61.01 -22.59 64.69 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.96 -0.564 . . . . 75.35 111.42 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 17.7 mm-40 -81.11 -25.38 37.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.495 -0.321 . . . . 73.23 111.221 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HB3' ' HA3' ' A' ' 54' ' ' GLY . 99.1 m-85 -107.86 -62.32 1.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.859 0.362 . . . . 75.15 111.616 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 61.3 m -89.9 100.61 13.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.156 -0.474 . . . . 60.53 112.033 -170.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -93.79 -43.77 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.41 -74.1 0.13 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.657 -0.701 . . . . 74.53 110.062 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 81.71 0.37 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.789 -0.525 . . . . 74.32 111.789 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.505 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 48.8 t -158.55 168.31 27.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.634 0.254 . . . . 74.1 110.758 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -155.37 154.7 32.39 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.815 -0.439 . . . . 74.3 109.815 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -165.89 170.73 13.46 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 110.202 -0.295 . . . . 73.4 110.202 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -146.26 145.88 30.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 75.32 110.478 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.16 121.3 62.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.344 -0.389 . . . . 64.21 110.475 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 HD22 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -111.7 139.74 46.9 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.71 0.404 . . . . 74.42 110.446 176.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -111.53 122.13 47.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 74.45 109.882 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.5 129.39 34.64 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.232 -0.655 . . . . 74.42 109.232 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.707 HG23 ' HE2' ' A' ' 102' ' ' LYS . 8.8 mm -105.58 161.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.145 0.497 . . . . 73.13 110.974 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -77.39 33.96 0.16 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.611 -0.722 . . . . 65.35 110.795 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.707 ' HE2' HG23 ' A' ' 100' ' ' ILE . 42.2 mtmt -129.52 156.79 43.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.59 0.356 . . . . 75.22 110.633 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 109.155 -0.683 . . . . 74.04 109.155 168.008 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 111.311 -0.715 . . . . 74.21 111.311 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG2' HG13 ' A' ' 11' ' ' ILE . 43.0 tt0 -153.25 -72.56 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.937 -0.394 . . . . 71.0 109.937 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG13 ' HG2' ' A' ' 10' ' ' GLU . 58.5 mt -106.47 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.368 0.604 . . . . 73.12 109.753 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptp -92.58 137.83 32.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.405 -0.816 . . . . 64.43 110.321 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 43.0 mm -120.76 102.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.45 109.682 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.78 123.76 50.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.029 -0.532 . . . . 74.52 110.15 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.552 HG12 ' HG2' ' A' ' 16' ' ' GLN . 6.3 tt -149.37 136.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.765 -0.652 . . . . 72.44 109.653 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.8 mm100 61.5 22.47 12.91 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.073 0.233 . . . . 75.41 110.942 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.38 32.14 9.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.129 -0.487 . . . . 64.5 110.553 -173.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.57 150.46 27.46 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.474 -0.565 . . . . 64.54 109.474 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.548 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 30.4 tt0 -111.53 114.13 27.0 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.165 0.291 . . . . 64.11 111.211 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.436 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 93.9 m-85 -131.15 166.33 21.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.3 0.24 . . . . 75.21 110.451 178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 100' ' ' ILE . 10.3 pt-20 -139.43 161.03 38.47 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.324 -0.621 . . . . 73.22 109.324 169.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 ' HB2' ' A' ' 25' ' ' ASN . 61.0 tp -89.85 103.19 15.87 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.472 -0.566 . . . . 74.03 109.472 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.25 -17.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.569 -0.287 . . . . 52.22 111.758 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -155.33 133.47 11.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 74.31 110.515 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' HB2' HD22 ' A' ' 22' ' ' LEU . 45.8 t30 -139.88 135.55 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.597 -0.52 . . . . 71.42 109.597 176.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -131.93 133.29 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.143 -0.317 . . . . 73.23 110.143 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 63.26 16.19 9.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.885 0.741 . . . . 72.21 110.293 178.217 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HA ' HD22 ' A' ' 25' ' ' ASN . 42.7 m-20 55.62 34.99 24.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.614 -0.721 . . . . 71.34 110.581 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' HB3' ' A' ' 93' ' ' ALA . . . -71.04 -14.74 73.79 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.287 -0.869 . . . . 73.21 112.284 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.12 129.14 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 74.52 111.105 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.518 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.4 t-20 -153.65 126.87 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.571 -0.9 . . . . 74.43 108.571 172.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.538 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -57.93 -43.8 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.271 0.357 . . . . 54.32 111.212 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.518 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.0 pt-20 -59.24 -41.79 89.56 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.486 -0.324 . . . . 73.32 110.368 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.98 97.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.221 0.534 . . . . 71.02 110.396 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -57.39 7.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 71.1 110.927 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 17.5 ptmt -70.91 -19.21 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 64.53 112.023 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.14 53.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.707 0.289 . . . . 54.44 111.174 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -97.29 -13.25 22.08 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.493 -0.321 . . . . 65.33 110.442 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.74 139.34 56.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.189 0.519 . . . . 72.31 112.003 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -136.2 146.43 46.81 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.052 -0.721 . . . . 60.12 109.052 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.28 -35.31 73.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.696 0.284 . . . . 72.34 111.503 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.05 -27.56 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.028 0.442 . . . . 74.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.44 -19.53 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 74.14 111.057 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -38.18 80.19 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.166 -0.47 . . . . 75.21 111.088 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -64.74 -21.85 66.85 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 71.3 112.384 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 94.4 m-85 -70.21 -28.71 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 74.12 110.899 -176.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 67.0 1.3 2.27 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.771 -0.649 . . . . 52.33 111.657 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CD2' HD11 ' A' ' 77' ' ' ILE . 41.3 m-85 -142.19 117.36 10.08 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.503 -0.554 . . . . 63.25 109.503 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -119.63 118.69 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 75.43 110.287 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 HG11 ' A' ' 96' ' ' VAL . 84.8 t -111.2 118.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 65.24 110.487 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.87 120.51 5.95 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.48 -0.648 . . . . 73.21 111.48 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.77 121.76 44.7 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.987 -0.375 . . . . 74.21 109.987 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -84.2 -60.59 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.058 -0.719 . . . . 74.15 109.058 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 50.29 -96.88 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.477 -0.783 . . . . 74.22 113.427 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -82.9 5.33 22.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.223 0.535 . . . . 74.04 110.957 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 4.64 59.82 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.886 -0.486 . . . . 71.23 111.886 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.97 80.97 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.877 -0.416 . . . . 72.2 109.877 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.91 107.82 0.92 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 75.23 109.928 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -131.11 158.19 41.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.356 -0.838 . . . . 72.43 109.188 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.71 118.27 36.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 71.03 111.21 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -97.79 138.14 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 72.13 109.664 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.86 135.85 12.41 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.024 -0.608 . . . . 72.31 112.315 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 63.5 m-85 -132.67 174.14 10.61 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.724 -0.473 . . . . 70.01 109.724 175.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -121.02 171.34 8.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 54.2 109.181 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 107.32 0.46 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.608 -0.516 . . . . 74.1 109.608 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 15.4 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.579 . . . . 72.41 110.131 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.169 0.509 . . . . 72.34 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -160.91 146.88 14.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.948 -0.76 . . . . 73.5 108.948 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.679 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 31.4 mt -126.09 110.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.936 -0.394 . . . . 74.15 109.936 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.8 t -65.83 -46.63 77.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.752 0.311 . . . . 60.3 110.718 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -63.81 -18.16 63.83 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.322 -0.399 . . . . 75.55 110.999 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 66.9 tp -66.83 -45.52 78.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.432 -0.349 . . . . 74.25 110.576 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.86 -43.77 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.963 -0.562 . . . . 70.31 110.158 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 23.2 mm-40 -65.73 -48.51 71.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 72.23 110.445 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.83 -56.51 18.62 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.776 -0.647 . . . . 75.13 111.244 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 88' ' ' CYS . 44.1 mm -58.29 -42.77 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 74.24 110.467 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.82 -30.1 60.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 74.4 110.764 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -79.92 -47.96 14.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.043 -0.526 . . . . 71.52 110.493 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -86.69 -81.71 0.22 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.88 -0.6 . . . . 71.21 111.037 -175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.49 ' HB3' HG23 ' A' ' 84' ' ' ILE . 37.1 t -81.26 82.36 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.21 0.529 . . . . 62.01 110.385 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -66.86 178.16 1.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 73.22 110.178 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.78 87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.037 0.446 . . . . 74.12 109.946 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.73 37.43 0.02 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.59 -0.732 . . . . 72.34 111.554 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.49 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 7.5 p -172.25 -167.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.588 -0.523 . . . . 72.14 109.588 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . . . -133.95 166.01 23.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.814 0.34 . . . . 64.41 111.529 -176.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -165.38 160.33 18.0 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.704 -0.68 . . . . 74.54 109.863 176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -144.2 153.94 42.61 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.488 -0.324 . . . . 74.22 110.684 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 50' ' ' VAL . 32.4 t -131.31 120.68 46.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.325 -0.398 . . . . 73.24 110.567 -175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.84 148.34 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.228 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -128.66 137.82 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 73.44 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 8.5 tpt180 -69.79 126.22 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.559 -0.534 . . . . 72.42 109.559 172.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 21' ' ' GLU . 38.4 mm -77.15 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.695 -0.23 . . . . 73.33 110.469 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -145.9 -81.93 0.15 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 110.448 -0.205 . . . . 74.13 110.448 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 147.59 22.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.608 -0.269 . . . . 75.11 110.364 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.468 ' N ' HD21 ' A' ' 103' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.298 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.605 0.558 . . . . 70.11 113.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -161.47 -73.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.306 -1.368 . . . . 65.34 107.306 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -133.36 81.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.832 -1.174 . . . . 74.04 107.832 167.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -102.91 138.83 39.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.08 -0.964 . . . . 75.24 110.592 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG13 HD22 ' A' ' 97' ' ' LEU . 19.1 mm -118.1 99.83 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 73.14 109.637 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.2 110.65 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.22 109.682 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.582 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.7 tt -143.22 135.99 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 74.25 109.952 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG2' HG12 ' A' ' 15' ' ' ILE . 71.4 mm-40 57.88 29.22 17.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 70.31 110.528 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 64.87 25.04 12.81 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.607 -0.724 . . . . 74.22 110.938 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.87 128.17 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.32 -0.622 . . . . 74.4 109.32 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.42 136.64 35.54 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.683 0.278 . . . . 73.31 110.281 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 84.2 m-85 -130.38 134.35 47.08 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.348 -0.612 . . . . 71.13 109.348 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.59 136.07 37.62 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.76 0.315 . . . . 71.12 110.191 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.9 104.84 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.318 -0.623 . . . . 73.4 109.318 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -96.44 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 73.15 111.808 -175.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -158.08 132.53 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.034 -0.358 . . . . 75.42 110.034 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -142.93 137.91 29.77 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.513 -0.551 . . . . 75.53 109.513 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.413 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 50.4 t80 -128.1 112.28 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.046 -0.353 . . . . 75.0 110.046 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.4 mptp? 56.88 34.17 24.35 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.103 0.478 . . . . 65.31 111.174 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 60.03 39.29 20.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.405 -0.816 . . . . 71.11 110.802 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.3 -28.41 61.74 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.324 -0.71 . . . . 51.51 111.324 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -64.42 136.16 56.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.125 0.488 . . . . 72.52 110.992 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -153.88 116.5 4.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.202 -1.036 . . . . 73.43 108.202 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.521 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.4 tt0 -65.17 -51.66 59.76 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.483 0.182 . . . . 75.4 111.349 -171.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.82 -34.78 76.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.49 -0.323 . . . . 61.01 110.704 -174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.85 57.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.472 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.04 -59.14 5.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.063 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.8 ptmt -63.92 -24.2 67.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 74.25 111.325 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.74 35.1 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.448 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 2.6 mmp_? -114.08 -2.04 13.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.57 -0.286 . . . . 70.04 111.128 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -67.22 114.4 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.984 -0.376 . . . . 75.43 109.984 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -89.15 134.02 34.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.093 -0.503 . . . . 63.53 109.837 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.88 -30.6 67.88 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 122.601 0.36 . . . . 74.31 110.886 -177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.14 -28.19 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 115.997 -0.547 . . . . 75.22 111.339 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' A' ' 49' ' ' ILE . 94.8 mt -71.18 -15.26 62.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.705 -175.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.39 -23.17 64.12 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.132 0.492 . . . . 75.33 110.823 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.36 -36.84 81.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.845 -0.616 . . . . 73.25 110.963 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 75.5 m-85 -84.56 -38.13 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 74.35 111.718 -169.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 99' ' ' ARG . 22.4 m-20 67.95 1.37 2.7 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.232 -0.44 . . . . 62.43 111.966 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 69.2 m-85 -129.59 115.66 17.73 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.533 -0.914 . . . . 75.1 108.533 171.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 43' ' ' LEU . 27.2 mm -114.76 126.63 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.686 -172.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.448 HG23 HD11 ' A' ' 80' ' ' LEU . 47.2 t -118.41 124.87 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 64.33 109.555 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -116.58 120.26 4.79 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.819 -0.705 . . . . 62.42 111.907 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.42 139.79 48.62 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.926 -0.398 . . . . 75.31 109.926 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.99 -88.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.072 -0.344 . . . . 74.32 110.072 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.07 -74.49 0.08 OUTLIER Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.305 -0.474 . . . . 75.31 112.36 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' A' ' 57' ' ' GLN . 19.7 t80 -86.65 178.07 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.023 -0.732 . . . . 71.22 109.023 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.28 28.04 1.0 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.148 -0.549 . . . . 74.34 113.779 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 55' ' ' TYR . 95.4 mt-30 -144.45 143.14 30.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.559 -0.534 . . . . 73.45 109.559 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.49 113.31 23.94 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.313 -0.625 . . . . 75.02 109.313 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.459 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 20.6 tpp85 -94.48 128.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.986 -0.376 . . . . 73.41 109.986 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.0 115.37 28.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.935 0.398 . . . . 72.22 110.256 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -110.73 138.69 46.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.589 -0.732 . . . . 73.43 109.584 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.78 141.81 15.37 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.329 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 80.5 m-85 -135.94 168.04 20.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.783 0.325 . . . . 73.45 110.747 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.49 156.46 20.84 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.282 -0.636 . . . . 61.32 109.282 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.69 153.67 16.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 110.244 -0.28 . . . . 70.04 110.244 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.771 0.32 . . . . 73.31 110.632 -176.193 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.235 0.3 0 CA-C-O 121.206 0.527 . . . . 62.42 111.195 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -150.41 132.24 15.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.131 -0.692 . . . . 73.04 109.131 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.42 HG21 HG22 ' A' ' 79' ' ' THR . 64.7 mt -126.84 122.41 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.697 -0.483 . . . . 74.41 109.697 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -51.38 -49.79 60.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.332 -0.395 . . . . 71.12 111.631 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.42 HG22 HG21 ' A' ' 77' ' ' ILE . 14.4 t -69.22 -21.3 63.95 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.656 -0.247 . . . . 74.52 111.428 -177.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD11 HG23 ' A' ' 50' ' ' VAL . 50.6 tp -69.41 -42.42 75.09 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 109.845 -0.428 . . . . 73.14 109.845 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.57 -43.68 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 71.24 109.912 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 29.5 mm-40 -61.27 -49.7 75.99 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.681 -0.691 . . . . 74.41 109.975 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.77 -54.7 30.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.259 -0.882 . . . . 75.34 111.713 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.44 -39.6 79.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.898 0.38 . . . . 61.52 110.325 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.582 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 50.2 t80 -64.6 -39.23 93.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.555 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.9 mt-10 -61.81 -56.43 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 52.15 111.419 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -96.82 -28.47 14.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.204 0.816 . . . . 72.53 113.204 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 34.4 t -135.18 50.97 2.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.17 0.51 . . . . 73.34 111.552 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 51.9 t30 -69.39 -34.19 74.15 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.93 -0.577 . . . . 72.25 110.429 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.73 -71.19 0.16 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.722 -0.672 . . . . 74.13 110.412 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.71 94.36 0.1 Allowed Glycine 0 C--O 1.238 0.36 0 C-N-CA 121.139 -0.553 . . . . 75.31 111.903 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 23.0 p -135.78 159.81 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.53 -0.544 . . . . 73.53 109.53 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.0 134.97 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.638 0.256 . . . . 71.22 111.313 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -151.44 174.7 13.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.922 -0.581 . . . . 65.21 110.025 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -154.55 151.8 29.31 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.593 -0.276 . . . . 74.43 111.037 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.2 128.38 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 122.468 0.307 . . . . 75.01 110.595 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 20' ' ' PHE . 11.2 mp -111.6 146.48 37.32 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.787 0.435 . . . . 75.31 110.787 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -118.64 138.01 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 73.24 109.984 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 12.9 tpt180 -66.58 138.2 57.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.176 0.436 . . . . 75.41 112.176 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.0 mm -98.75 142.26 15.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.659 -0.7 . . . . 72.35 109.196 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -60.29 -48.32 82.22 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.619 0.247 . . . . 73.11 111.231 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -125.1 176.11 6.92 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.555 -0.293 . . . . 75.21 110.659 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.123 0.487 . . . . 71.21 112.114 -175.042 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 111.483 0.179 . . . . 75.45 111.483 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.7 pt -68.99 133.8 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 109.165 -0.68 . . . . 71.51 109.165 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 74.82 46.8 16.25 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.265 -1.134 . . . . 70.44 110.265 -171.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -42.71 81.6 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.085 1.142 . . . . 75.15 114.085 -170.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 3' ' ' GLY . 18.4 m 51.9 28.93 5.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.798 -0.637 . . . . 73.2 111.506 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' OE2' ' HA2' ' A' ' 3' ' ' GLY . 43.4 mt-10 -70.18 112.43 6.53 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.045 -0.525 . . . . 73.43 112.398 -173.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -115.06 16.86 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.679 -0.86 . . . . 73.01 108.679 168.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -107.46 135.23 49.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 114.957 -1.02 . . . . 74.31 110.009 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.41 -176.21 31.21 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.604 -0.598 . . . . 70.43 111.604 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.1 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 64.32 108.596 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.497 HD11 HD21 ' A' ' 22' ' ' LEU . 54.7 mt -140.64 82.42 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.195 -1.039 . . . . 75.04 108.195 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.555 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.36 122.32 35.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.289 -0.869 . . . . 72.32 110.532 -176.456 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG13 HD22 ' A' ' 97' ' ' LEU . 17.7 mm -107.7 108.61 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.763 -0.653 . . . . 75.34 110.098 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.86 115.31 30.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.03 -0.359 . . . . 75.51 110.03 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.541 HG12 ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -141.26 142.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.272 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.541 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 53.95 33.42 17.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.8 0.333 . . . . 73.32 110.861 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.52 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 2.5 m-20 64.26 27.47 13.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.731 -0.668 . . . . 73.13 111.045 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.66 132.02 56.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.947 -0.57 . . . . 64.22 109.662 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -94.17 123.98 37.9 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.873 -0.417 . . . . 72.44 109.873 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HZ ' ' HH ' ' A' ' 39' ' ' TYR . 98.3 m-85 -123.52 160.45 26.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.718 0.294 . . . . 75.25 110.451 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -133.82 129.75 36.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.088 -0.505 . . . . 75.5 109.675 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 11' ' ' ILE . 64.8 tp -74.17 101.7 4.04 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.474 -0.565 . . . . 70.44 109.474 175.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -87.89 -36.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 74.32 111.439 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.1 133.77 30.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.34 -0.244 . . . . 71.01 110.34 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -143.57 128.8 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 75.32 109.759 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -124.66 133.39 53.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 72.51 110.313 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 64.53 20.6 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.314 -0.857 . . . . 73.22 110.26 173.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 57.32 37.12 27.97 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.535 -0.757 . . . . 73.31 110.42 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.99 -16.01 70.09 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.571 -0.74 . . . . 73.44 112.26 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.95 97.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 74.45 111.331 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -107.69 112.36 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.693 -0.854 . . . . 60.22 108.693 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.4 -51.63 68.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.267 0.469 . . . . 74.15 112.267 -170.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.88 -40.16 91.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.976 -0.29 . . . . 55.34 110.634 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.68 85.16 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.352 -0.386 . . . . 73.14 110.257 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 59.9 t80 -55.98 -57.24 12.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.825 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HB2' HD11 ' A' ' 15' ' ' ILE . 14.2 ptmm? -67.99 -19.77 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 74.04 111.329 -174.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.21 34.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 75.33 110.535 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -90.73 -14.47 32.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 70.42 110.75 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' HH ' ' HZ ' ' A' ' 20' ' ' PHE . 80.6 t80 -64.22 155.07 33.01 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.86 -0.609 . . . . 73.54 111.232 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -149.33 148.43 29.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.168 -0.679 . . . . 73.01 109.168 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.28 -37.43 74.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.704 0.402 . . . . 64.5 112.044 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.09 -24.78 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.065 0.459 . . . . 75.35 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HB3' HD12 ' A' ' 49' ' ' ILE . 89.2 mt -71.14 -27.41 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 73.52 111.387 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -57.91 -21.51 43.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.175 0.512 . . . . 73.54 110.62 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 74.02 112.091 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.3 -24.94 57.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.257 0.836 . . . . 74.12 113.257 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 22.5 t70 72.41 -0.11 3.4 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.197 0.522 . . . . 75.42 110.744 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -149.35 119.12 7.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.998 -0.547 . . . . 73.41 109.945 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.6 mm -112.81 114.53 47.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.828 0.346 . . . . 74.42 110.082 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.5 t -101.96 127.43 55.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.623 -0.51 . . . . 75.12 109.623 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -118.38 120.05 4.58 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.873 -0.68 . . . . 63.01 111.474 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.11 150.81 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.844 0.354 . . . . 74.1 110.06 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -97.37 27.05 4.42 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.017 -0.538 . . . . 75.04 110.367 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.75 135.72 33.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.23 -0.748 . . . . 38.04 111.23 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.7 t80 70.66 11.5 7.24 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.335 0.588 . . . . 74.21 110.058 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 -49.59 4.14 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.036 -0.529 . . . . 64.34 112.622 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.78 116.23 15.26 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.959 -0.386 . . . . 71.54 109.959 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.49 123.42 13.9 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.48 0.487 . . . . 75.13 110.179 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.556 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 18.6 mmm180 -107.39 129.12 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.51 109.839 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.08 102.52 12.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.541 -0.911 . . . . 63.35 108.541 168.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -114.77 126.77 55.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.162 -0.681 . . . . 75.15 109.162 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.02 146.23 18.04 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.013 -0.613 . . . . 60.1 112.648 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -124.58 169.46 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.223 -0.658 . . . . 74.3 109.223 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -103.41 163.14 12.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.678 -0.49 . . . . 64.54 109.678 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.28 109.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.679 0.752 . . . . 71.41 111.359 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.481 ' HB2' HG23 ' A' ' 77' ' ' ILE . 13.7 t70 -86.35 -47.31 9.47 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.963 -1.017 . . . . 74.43 110.913 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 14.6 mm-40 -70.41 153.79 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 73.2 111.667 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -90.48 158.65 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.763 -0.828 . . . . 73.44 108.763 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.95 -21.06 18.66 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.389 0.514 . . . . 72.34 112.389 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -91.72 -0.56 57.56 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.817 0.342 . . . . 74.22 111.43 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.53 128.94 34.9 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.364 -0.21 . . . . 74.01 110.454 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 t -77.11 -28.31 54.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.046 0.451 . . . . 74.24 110.184 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.471 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 m-85 -84.1 62.39 7.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.929 0.395 . . . . 73.22 110.12 174.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -47.43 -35.8 9.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.151 -0.931 . . . . 72.31 111.433 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.9 p -86.13 1.06 51.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.454 -0.794 . . . . 75.11 112.949 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.4 mmmt -90.1 129.94 36.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.121 0.486 . . . . 74.15 110.978 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 66' ' ' ASP . 44.3 mt -114.88 107.47 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.587 -0.894 . . . . 74.34 108.587 173.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -64.29 -33.26 75.43 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.704 0.288 . . . . 63.15 111.721 -172.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -77.68 -11.21 59.85 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.101 0.477 . . . . 71.12 111.111 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 54.2 tp -69.59 -42.13 74.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.496 -176.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.57 -49.88 61.2 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.976 -0.557 . . . . 70.24 111.438 -175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.92 -34.77 78.5 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.773 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.64 -53.54 54.87 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.014 -0.539 . . . . 74.31 110.479 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 88' ' ' CYS . 42.1 mm -57.43 -41.28 78.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.803 -0.635 . . . . 75.24 110.436 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.92 -35.23 74.45 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.631 . . . . 73.14 111.082 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.76 -37.2 79.19 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.281 -0.418 . . . . 75.3 111.16 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.03 -75.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 73.31 111.015 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' A' ' 84' ' ' ILE . 34.3 t -88.24 71.29 9.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.35 0.595 . . . . 65.24 110.316 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.67 170.54 16.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.684 -0.689 . . . . 74.13 109.562 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -43.92 121.21 2.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.846 0.459 . . . . 65.31 111.068 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.69 51.5 1.19 Allowed Glycine 0 C--N 1.33 0.218 0 N-CA-C 110.512 -1.035 . . . . 73.12 110.512 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 93' ' ' ALA . 32.7 t -165.25 -174.21 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.204 -0.665 . . . . 60.1 109.204 -173.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.578 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -144.02 143.64 31.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.55 -0.167 . . . . 75.54 110.55 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -157.8 165.72 34.59 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.989 0.423 . . . . 74.14 110.444 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.93 155.11 38.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 74.53 109.544 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.18 123.79 51.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 120.666 0.269 . . . . 64.42 110.626 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD22 HG13 ' A' ' 13' ' ' ILE . 10.3 mp -108.22 136.77 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 63.1 110.239 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -107.31 131.45 54.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.782 -0.644 . . . . 73.32 109.899 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.484 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 7.6 tmm_? -85.81 126.65 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.829 -0.804 . . . . 64.21 108.829 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.515 HG23 ' HG2' ' A' ' 102' ' ' LYS . 26.6 mm -80.23 149.16 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 72.04 111.188 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -75.9 35.71 0.13 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.877 -0.601 . . . . 64.4 111.53 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.515 ' HG2' HG23 ' A' ' 100' ' ' ILE . 23.6 pttp -171.63 176.82 3.6 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 109.312 -0.625 . . . . 71.42 109.312 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.2 tm? -149.6 108.73 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.434 -0.58 . . . . 72.31 109.434 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.72 94.77 5.62 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.496 -0.557 . . . . 74.33 109.496 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.87 106.4 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.682 -0.859 . . . . 72.03 108.682 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -69.83 82.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 72.31 111.123 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -85.19 103.72 14.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.31 -0.626 . . . . 75.04 109.31 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -66.35 90.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 72.03 110.441 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -84.36 169.24 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 74.02 110.135 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 C--O 1.245 0.843 0 N-CA-C 109.626 -0.509 . . . . 63.24 109.626 175.722 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.815 -0.439 . . . . 61.23 109.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.66 114.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.417 -0.356 . . . . 72.53 110.475 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.462 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -80.99 148.48 28.61 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.39 -0.684 . . . . 64.52 111.39 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.518 ' N ' ' SD ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -109.87 131.42 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.77 0.285 . . . . 54.45 110.884 -177.311 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -91.08 159.36 16.15 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.737 -0.468 . . . . 73.11 109.737 174.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' OE1' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.94 -172.48 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.749 -0.463 . . . . 73.23 109.749 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' A' ' 104' ' ' GLU . 2.8 mptp? -137.2 67.6 1.43 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.139 -0.35 . . . . 74.21 111.675 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.491 ' HB2' ' OE1' ' A' ' 6' ' ' GLU . 16.1 mmm180 -142.32 0.74 1.35 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.102 -0.499 . . . . 73.32 110.438 171.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.75 95.22 0.05 OUTLIER Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.145 -0.48 . . . . 70.34 112.388 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -73.78 -52.4 13.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.86 0.362 . . . . 54.52 110.692 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.5 mt -115.44 92.42 2.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.228 0.537 . . . . 74.14 110.039 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -101.36 131.55 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.091 -0.959 . . . . 73.23 110.183 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 HG13 HD22 ' A' ' 97' ' ' LEU . 22.8 mm -113.66 115.0 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 74.35 110.069 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mp -105.52 117.89 35.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.481 -0.327 . . . . 74.03 110.342 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.4 tt -150.09 132.71 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.295 -0.411 . . . . 74.34 110.784 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' HG2' HG12 ' A' ' 15' ' ' ILE . 13.8 mm100 53.44 38.05 27.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.823 0.449 . . . . 75.32 111.621 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.34 23.51 12.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.385 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.18 138.73 52.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.435 -0.58 . . . . 75.52 109.435 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 103' ' ' LEU . 23.1 tt0 -117.14 132.84 56.57 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.395 -0.594 . . . . 63.42 109.395 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -128.78 160.09 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 73.42 110.51 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -118.56 141.61 48.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.493 -0.558 . . . . 75.03 109.493 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 25' ' ' ASN . 51.2 tp -84.81 106.8 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.608 -0.516 . . . . 74.32 109.608 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -91.48 -30.25 4.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.514 -0.312 . . . . 75.1 111.561 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -145.42 133.44 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.158 -0.312 . . . . 73.13 110.158 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB2' HD23 ' A' ' 22' ' ' LEU . 45.7 t30 -140.71 99.73 3.69 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.67 -0.493 . . . . 64.31 109.67 -178.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HB3' ' H ' ' A' ' 94' ' ' TYR . 51.0 t80 -89.91 116.46 27.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 70.43 110.346 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 57.86 33.59 23.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.911 0.484 . . . . 74.24 111.328 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 58.4 30.82 20.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.853 -0.612 . . . . 73.02 110.91 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.58 -14.76 55.86 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.752 -0.658 . . . . 52.33 112.647 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 82.7 t80 -68.11 112.96 5.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.927 0.394 . . . . 74.24 110.985 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.7 105.37 9.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 53.55 109.338 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.1 tt0 -58.18 -37.01 73.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 73.44 110.823 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.571 ' HG2' ' N ' ' A' ' 34' ' ' ALA . 4.1 pm0 -56.38 -46.31 80.15 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.356 -0.384 . . . . 71.54 111.297 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.571 ' N ' ' HG2' ' A' ' 33' ' ' GLU . . . -78.89 -30.35 44.88 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.487 0.661 . . . . 75.13 109.46 -177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 73.15 110.073 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 19.5 ptmt -63.87 -19.74 65.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 74.53 111.163 -176.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.06 -47.2 16.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 53.12 110.556 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -89.04 -3.87 58.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.992 -0.549 . . . . 73.51 111.295 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.435 ' HA ' HD12 ' A' ' 60' ' ' LEU . 87.6 t80 -72.54 139.96 47.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 73.12 111.314 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 m -133.97 140.22 46.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.57 -0.741 . . . . 61.45 109.606 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -56.69 -32.48 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.724 0.41 . . . . 62.24 111.281 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.94 -24.95 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.278 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.49 -12.65 61.17 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.281 -0.418 . . . . 72.42 111.475 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.13 -24.59 67.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.588 0.233 . . . . 75.44 111.235 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.92 -26.55 64.45 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.877 0.37 . . . . 75.22 111.245 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -83.1 -30.87 27.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.941 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.33 1.74 3.72 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.333 0.653 . . . . 72.35 111.724 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -141.62 122.02 14.04 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.914 -0.402 . . . . 73.1 109.914 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.9 mm -109.22 125.64 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.621 -0.511 . . . . 73.21 109.621 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.2 t -124.16 124.86 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 74.31 110.516 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.35 128.95 8.2 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.035 -0.826 . . . . 61.52 111.035 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.37 147.32 47.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.947 0.403 . . . . 72.02 111.576 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -104.19 -8.37 19.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.591 -0.731 . . . . 71.22 110.982 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.19 -23.71 73.2 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.345 -0.702 . . . . 73.45 111.345 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -74.13 -9.18 58.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.214 0.53 . . . . 74.31 110.325 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.53 -54.41 4.14 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.812 -0.515 . . . . 64.05 111.812 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -99.54 129.96 45.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.667 -0.494 . . . . 73.22 109.667 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.78 102.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.049 0.452 . . . . 73.43 109.948 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.35 136.67 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.442 -0.577 . . . . 74.32 109.442 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 39' ' ' TYR . 86.2 mt -92.72 122.0 34.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.969 0.414 . . . . 72.11 111.015 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -109.69 173.96 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 74.14 109.05 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.95 149.63 21.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.843 -0.694 . . . . 74.33 111.884 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.05 165.42 25.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.73 -0.47 . . . . 74.41 109.73 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -103.16 170.85 7.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.128 -0.323 . . . . 74.11 110.128 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.47 107.76 0.54 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.424 0.63 . . . . 74.1 110.768 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 12.4 t70 -83.24 -50.03 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.27 -0.877 . . . . 72.53 108.793 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 98.0 mt-30 -92.87 104.37 16.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.004 -0.998 . . . . 71.42 109.032 171.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.45 -5.38 52.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.301 0.572 . . . . 71.24 110.322 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.94 81.84 1.2 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.781 -0.645 . . . . 75.54 110.522 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -75.17 103.54 5.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.611 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -172.62 -91.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 52.35 110.364 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -110.79 2.23 18.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.709 0.29 . . . . 72.25 110.89 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 73.1 m-85 -121.13 -104.22 0.39 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 119.474 -0.298 . . . . 74.31 110.295 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 67' ' ' GLN . 14.0 pt-20 45.38 15.86 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.095 0.958 . . . . 61.03 113.047 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -129.02 -27.74 2.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 111.913 0.338 . . . . 74.11 111.913 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.82 69.71 3.19 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.101 -0.703 . . . . 64.13 109.101 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.525 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.8 mt -68.28 103.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.041 -0.982 . . . . 75.14 110.162 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 t -57.48 -49.05 77.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.31 -0.404 . . . . 62.03 111.143 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -57.93 -27.29 63.24 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.983 0.42 . . . . 74.42 111.011 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -78.36 -43.41 27.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.199 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.25 -41.99 76.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.362 0.601 . . . . 72.12 109.897 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 12.3 mm-40 -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.217 -0.901 . . . . 73.34 109.985 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -58.47 -34.89 71.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.502 -0.772 . . . . 75.13 110.57 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.5 mm -67.23 -44.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.052 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -58.63 -31.65 68.3 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.068 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 8.4 mm-40 -60.77 -49.36 77.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 72.21 111.216 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -90.51 -55.36 3.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 75.53 110.555 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -81.39 87.19 6.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 63.34 111.356 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.423 ' N ' HD21 ' A' ' 89' ' ' ASN . 0.9 OUTLIER -83.72 -32.59 25.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.748 -0.834 . . . . 73.21 108.748 168.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -173.41 146.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.812 -1.086 . . . . 74.23 108.607 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.37 84.03 0.1 OUTLIER Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.9 -0.667 . . . . 75.35 112.041 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p -151.08 177.77 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 62.22 110.386 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.36 124.41 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.728 -0.841 . . . . 74.34 108.728 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.4 ' H ' ' HB3' ' A' ' 26' ' ' PHE . 32.4 p90 -148.13 155.67 41.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.88 0.372 . . . . 75.11 110.573 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 43.6 p90 -133.02 148.98 52.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 75.24 110.231 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -128.64 120.55 52.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.156 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -106.26 143.14 34.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.729 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.59 127.02 53.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.726 -0.67 . . . . 74.35 110.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.8 107.72 3.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.511 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.9 mm -68.51 141.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.096 -0.705 . . . . 75.3 109.096 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -71.12 2.16 4.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.555 0.576 . . . . 73.01 112.555 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 3' ' ' GLY . 20.5 ptmt -175.05 -172.33 0.59 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.47 0.176 . . . . 64.14 110.718 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 103' ' ' LEU . 1.8 mm? -107.99 126.79 53.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.071 -0.714 . . . . 75.43 109.071 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' A' ' 7' ' ' LYS . 6.4 tp10 -68.86 147.78 51.21 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.123 0.487 . . . . 73.32 110.534 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -70.75 145.68 50.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.701 . . . . 75.25 111.306 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m80 72.07 -26.19 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.436 0.902 . . . . 74.42 113.436 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.559 ' HE1' ' HE1' ' A' ' 12' ' ' MET . 34.7 t60 -61.39 -38.12 85.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.522 0.201 . . . . 73.12 111.008 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -85.88 117.24 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.868 -0.419 . . . . 72.24 109.868 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -67.66 162.97 22.46 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.324 -0.398 . . . . 71.44 111.78 -177.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.0 m80 . . . . . 0 C--O 1.247 0.956 0 N-CA-C 108.689 -0.856 . . . . 75.34 108.689 171.68 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.881 -0.414 . . . . 74.42 109.881 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -151.47 142.59 16.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.838 0.351 . . . . 70.12 110.802 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.6 116.06 1.0 Allowed Glycine 0 C--O 1.236 0.247 0 N-CA-C 111.363 -0.695 . . . . 65.22 111.363 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt -73.4 -80.19 0.07 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.743 0.306 . . . . 71.35 110.628 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t 179.93 142.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 73.44 109.711 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' CD ' ' HZ2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -132.23 -177.94 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 73.03 110.413 179.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -135.15 21.0 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.523 -0.547 . . . . 74.41 109.523 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -108.01 153.29 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 74.34 110.668 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.43 60.01 0.48 Allowed Glycine 0 CA--C 1.506 -0.519 0 N-CA-C 109.811 -1.316 . . . . 73.32 109.811 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.95 -57.59 5.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.58 -0.31 . . . . 74.41 110.519 -171.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 58.5 mt -140.95 79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.953 -0.758 . . . . 74.11 108.953 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.77 108.67 14.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.512 -0.767 . . . . 72.31 111.671 -173.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.504 HG13 HD21 ' A' ' 97' ' ' LEU . 15.9 mm -101.55 99.56 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.781 . . . . 73.53 109.756 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -93.06 116.91 29.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.137 -0.32 . . . . 71.11 110.137 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.5 131.94 16.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.948 0.404 . . . . 73.25 110.933 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 49.63 62.0 2.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.684 -0.689 . . . . 72.12 112.466 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 66.84 5.64 4.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.084 -0.507 . . . . 73.34 112.127 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.06 133.26 53.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.993 0.425 . . . . 74.32 111.071 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -95.55 125.12 39.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.687 -0.688 . . . . 64.21 109.315 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.09 166.11 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.723 -0.473 . . . . 65.21 109.723 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HG2' HD13 ' A' ' 100' ' ' ILE . 8.8 pt-20 -147.91 152.58 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.428 -0.582 . . . . 75.24 109.428 166.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.27 100.99 2.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.076 -0.511 . . . . 73.21 109.99 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.59 -8.12 10.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.318 -0.401 . . . . 73.21 111.416 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 8.0 t-80 -160.79 133.24 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 73.22 110.018 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -130.39 154.52 47.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.327 -0.62 . . . . 74.13 109.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.67 111.88 7.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.018 -0.734 . . . . 75.25 109.018 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 64.83 20.0 12.0 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.75 0.656 . . . . 74.33 110.812 173.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.67 47.03 19.12 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.484 -0.78 . . . . 75.33 110.921 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.19 11.11 59.0 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.623 -0.717 . . . . 75.01 112.308 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -84.6 112.65 20.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.892 0.377 . . . . 74.24 110.663 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -121.86 117.68 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.024 -0.732 . . . . 64.02 109.024 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -56.59 -49.04 76.08 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.089 0.243 . . . . 73.55 110.915 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.03 -44.26 87.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.21 111.016 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 65.44 110.253 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.97 -59.06 5.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.503 -0.771 . . . . 75.24 110.855 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 16.6 ptmt -69.64 -34.83 74.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 72.55 111.805 -172.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.44 -28.03 56.45 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.885 0.374 . . . . 65.1 111.668 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 4.3 mmp_? -107.2 9.46 30.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.828 0.347 . . . . 75.41 110.487 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' HA ' HD22 ' A' ' 60' ' ' LEU . 74.2 t80 -70.22 121.22 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 73.52 110.432 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.701 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 23.8 m -90.87 128.44 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.645 -0.502 . . . . 72.15 109.645 175.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.26 -38.41 68.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.166 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.59 -30.77 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.015 -0.539 . . . . 73.1 111.654 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.701 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 84.0 mt -65.39 -24.36 67.2 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.838 0.351 . . . . 64.2 111.181 -176.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.27 -26.23 64.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.547 . . . . 64.02 111.071 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.97 -13.99 59.9 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.668 -0.696 . . . . 71.23 111.396 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 43' ' ' LEU . 96.5 m-85 -90.7 -20.14 22.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.985 0.365 . . . . 72.02 111.985 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER 72.53 1.74 4.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.824 0.45 . . . . 75.25 112.183 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 25.5 m-85 -136.31 130.13 32.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.962 -0.384 . . . . 75.34 109.962 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -125.24 113.95 37.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 123.493 0.496 . . . . 72.04 109.792 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.04 133.55 68.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 75.02 110.513 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.09 128.7 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.824 -0.91 . . . . 62.3 110.824 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -114.13 158.04 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.334 0.588 . . . . 65.21 111.158 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -110.93 28.1 9.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.095 -0.957 . . . . 70.42 109.34 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.63 -63.53 5.02 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.9 -0.591 . . . . 55.33 112.781 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -74.16 -29.48 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 74.23 110.241 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.56 -47.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.168 -0.773 . . . . 75.5 111.168 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.6 108.21 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.817 -0.438 . . . . 72.51 109.817 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.89 121.38 9.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 75.02 110.188 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -136.78 136.48 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 75.33 110.116 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' ' 39' ' ' TYR . 6.1 mp -92.99 151.19 20.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.531 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -144.21 155.28 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.676 -0.49 . . . . 75.31 109.676 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.27 143.53 17.57 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.278 -0.487 . . . . 75.02 112.555 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 86.8 m-85 -144.55 177.35 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.981 0.513 . . . . 71.03 109.9 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -124.54 156.85 36.66 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.744 -0.835 . . . . 75.4 108.744 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HA ' HG12 ' A' ' 77' ' ' ILE . 1.3 p30 -78.18 108.19 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 61.43 110.47 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.78 -45.36 94.22 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.362 -0.835 . . . . 72.22 110.117 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 64.65 2.72 1.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 114.776 -1.102 . . . . 74.11 111.526 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -97.47 66.63 2.02 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.547 0.689 . . . . 74.42 109.204 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.469 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 44.3 mm-40 -159.86 -146.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.667 -1.151 . . . . 75.05 108.505 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.4 mptt -67.43 81.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.515 -0.92 . . . . 75.51 108.515 173.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.82 -156.7 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.536 -0.756 . . . . 63.23 112.673 -169.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m 78.57 2.23 2.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.652 0.739 . . . . 75.24 110.123 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.496 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 94.7 m-85 -137.42 130.14 30.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.502 -0.772 . . . . 72.43 109.395 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -74.03 -14.89 61.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 71.42 110.965 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 p -95.61 18.22 13.29 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.276 -0.42 . . . . 74.23 111.928 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 72.6 mmtt -85.67 104.58 15.52 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.071 0.463 . . . . 73.13 111.501 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.637 HG12 ' HA ' ' A' ' 65' ' ' ASP . 49.4 mt -111.32 122.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 74.12 109.781 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -78.27 -44.99 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 72.44 110.107 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 t -64.01 -20.11 65.67 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.495 -0.321 . . . . 60.34 110.883 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' HG12 ' A' ' 84' ' ' ILE . 57.9 tp -76.73 -37.2 56.42 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.115 -0.328 . . . . 75.52 110.115 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.05 -42.86 91.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.238 0.542 . . . . 73.21 109.956 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 17.6 mm-40 -64.04 -48.75 75.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.476 -0.784 . . . . 73.11 110.326 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -51.65 -46.71 63.81 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.467 -0.788 . . . . 75.02 111.461 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 80' ' ' LEU . 49.2 mm -63.07 -42.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.317 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -63.91 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.702 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.0 mt-10 -78.64 -49.48 13.12 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.24 -0.436 . . . . 73.33 111.175 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.71 -78.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 75.41 112.035 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.2 t -84.47 64.95 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.392 0.615 . . . . 74.14 110.644 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -105.88 11.11 32.19 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.474 0.654 . . . . 73.41 110.089 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.11 -162.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.627 -0.715 . . . . 74.35 109.83 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.68 46.83 3.16 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.969 -0.634 . . . . 51.45 112.315 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.2 p -96.66 -164.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.747 0.419 . . . . 74.15 110.544 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.97 32.5 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.041 -0.355 . . . . 70.22 110.041 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -166.63 168.43 14.5 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.863 0.363 . . . . 75.42 110.857 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -141.8 146.49 35.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 75.22 110.212 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 60.3 t -128.32 119.15 49.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 120.789 0.328 . . . . 64.31 110.671 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -107.66 136.59 47.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 74.34 110.024 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.78 139.52 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 75.22 109.877 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 102.05 5.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.682 -0.488 . . . . 74.32 109.682 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 21' ' ' GLU . 42.3 mm -65.04 147.27 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.815 -0.629 . . . . 72.52 109.474 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -77.98 -3.78 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.589 -0.278 . . . . 74.15 111.466 -173.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' H ' HG23 ' A' ' 100' ' ' ILE . 25.6 mtmm -95.22 169.94 9.74 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 110.224 -0.287 . . . . 73.23 110.224 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -173.95 110.47 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.195 -0.669 . . . . 72.14 109.195 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -109.61 153.41 24.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.063 -0.517 . . . . 75.44 109.715 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -80.16 170.01 17.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.178 0.514 . . . . 74.12 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -76.66 -8.67 57.72 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.268 0.84 . . . . 75.22 113.268 -167.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 58.64 20.22 7.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 111.673 0.249 . . . . 64.22 111.673 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -74.69 97.96 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 74.12 110.888 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -133.42 -2.87 3.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 71.14 109.874 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.543 -0.741 . . . . 74.11 109.2 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 111.311 0.115 . . . . 64.15 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.19 105.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.226 0.536 . . . . 72.5 109.711 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.27 -45.33 0.2 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.405 -1.078 . . . . 61.52 110.405 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 89.6 mtp -97.61 113.25 24.94 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.805 -0.813 . . . . 74.25 108.805 171.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m -59.67 128.58 37.66 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.18 0.3 . . . . 74.12 110.733 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -76.26 128.92 35.87 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.528 -0.915 . . . . 71.14 108.528 174.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 7' ' ' LYS . 28.9 ttmt -95.27 146.17 24.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.505 -168.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 8' ' ' ARG . 21.8 ptt85 -58.87 166.82 1.8 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.277 -0.874 . . . . 74.32 111.45 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.17 177.91 42.63 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.904 -0.589 . . . . 70.41 112.027 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HG2' HG13 ' A' ' 11' ' ' ILE . 36.6 tt0 -155.19 -76.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.652 -0.499 . . . . 63.13 109.652 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.535 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.5 mt -132.52 93.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 73.14 109.604 176.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 71.24 109.993 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 20.1 mm -99.99 114.05 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.017 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -108.75 111.71 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.984 -0.376 . . . . 74.3 109.984 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -145.46 142.82 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 72.53 109.433 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.3 mm100 58.47 23.35 10.6 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.739 0.304 . . . . 71.13 110.444 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 m120 62.45 36.52 14.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.319 0.581 . . . . 73.11 110.673 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.8 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.583 -0.735 . . . . 74.35 109.14 173.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.43 124.92 50.1 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.177 0.298 . . . . 75.45 110.419 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 53.6 m-85 -122.13 159.15 27.77 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.308 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -125.24 138.63 54.11 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.241 -0.651 . . . . 75.45 109.241 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.6 tp -81.13 100.33 9.0 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.969 0.414 . . . . 65.22 109.994 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.19 -14.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 73.54 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -163.53 132.94 4.05 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.915 0.388 . . . . 73.5 111.621 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -123.23 132.65 54.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.16 -1.052 . . . . 65.04 108.16 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -122.71 110.18 15.18 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 72.3 109.993 -175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 55.26 53.09 10.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.649 0.593 . . . . 74.53 111.287 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.64 27.29 15.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.966 0.412 . . . . 73.03 110.52 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.68 96.89 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.746 -0.661 . . . . 53.11 112.719 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -73.89 94.84 2.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 75.23 111.491 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 31' ' ' ASN . 0.8 OUTLIER -109.08 113.11 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.407 -0.96 . . . . 72.23 108.407 169.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.9 tt0 -57.39 -41.75 80.87 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.964 -0.384 . . . . 74.05 109.964 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.35 -44.08 64.99 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.369 -0.832 . . . . 74.54 111.223 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.33 -38.74 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.495 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.74 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 75.22 110.909 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.9 ptmt -63.63 -24.13 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 75.24 111.36 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.15 -26.81 35.78 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.329 -0.396 . . . . 73.12 111.186 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -99.32 -21.48 16.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.351 -0.386 . . . . 74.22 111.152 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.88 131.7 48.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.082 0.468 . . . . 73.53 112.079 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t -124.44 156.89 36.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.38 -0.827 . . . . 72.41 110.062 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.69 -17.04 62.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.269 -0.423 . . . . 52.52 111.131 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -59.22 -28.65 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.24 0.543 . . . . 75.01 110.441 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' A' ' 49' ' ' ILE . 71.2 mt -81.77 -13.93 57.09 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.597 -0.729 . . . . 72.02 111.398 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -60.22 -33.76 72.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.141 -0.481 . . . . 75.52 111.466 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.574 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.41 -11.53 60.27 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.974 -175.132 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.403 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 97.6 m-85 -89.35 -31.19 17.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.773 -0.194 . . . . 74.42 111.136 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 69.03 1.46 3.19 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.139 0.576 . . . . 63.43 112.011 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -134.77 115.32 13.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.162 -0.681 . . . . 73.34 109.162 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 43' ' ' LEU . 12.2 mm -112.4 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 73.21 110.338 -175.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 96' ' ' VAL . 61.5 t -113.85 148.34 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.578 -0.527 . . . . 74.42 109.578 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.74 121.3 2.11 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.331 -0.708 . . . . 61.25 111.331 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -103.84 138.37 40.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.002 -0.369 . . . . 75.12 110.002 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -81.83 -30.27 32.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 73.33 109.826 175.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.12 -79.23 0.01 OUTLIER Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.535 -0.757 . . . . 74.43 112.158 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -128.89 -21.69 3.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 75.15 110.17 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.41 -31.88 0.39 Allowed Glycine 0 C--O 1.234 0.144 0 N-CA-C 111.054 -0.819 . . . . 74.23 111.054 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.48 88.58 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.392 -0.595 . . . . 75.12 109.392 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 59' ' ' ARG . 1.7 tt -67.97 125.7 27.14 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.389 -174.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HD2' ' OH ' ' A' ' 83' ' ' TYR . 22.6 ttm-85 -122.95 132.17 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.705 . . . . 74.41 110.158 -177.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.17 141.51 31.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.871 0.367 . . . . 71.14 110.088 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -139.5 130.4 26.22 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.911 -0.774 . . . . 75.25 108.911 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.04 141.04 16.07 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.882 -0.675 . . . . 75.43 111.705 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.66 165.28 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 73.44 110.589 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 154.73 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.896 -0.779 . . . . 75.34 108.896 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -70.69 113.41 7.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 73.11 111.121 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -75.87 -44.06 42.57 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.793 -0.64 . . . . 75.14 109.605 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.533 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 11.1 mm100 -79.79 102.75 9.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.684 . . . . 71.23 109.639 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -94.16 -5.2 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.029 0.442 . . . . 74.13 110.391 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -99.66 168.54 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 65.11 109.939 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -74.42 85.92 2.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 74.51 110.234 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.29 169.01 13.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 72.11 110.402 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.8 m -59.92 -35.41 74.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.088 0.471 . . . . 73.45 110.113 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -109.37 135.19 50.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.087 -0.708 . . . . 74.2 109.087 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -80.87 33.92 0.33 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.367 0.603 . . . . 64.51 111.058 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -152.89 -81.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.92 -0.582 . . . . 74.32 109.46 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 49.8 tptt 44.45 35.01 1.19 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.825 0.821 . . . . 74.0 111.098 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 66.7 mt -57.38 118.34 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.262 -0.881 . . . . 74.45 110.292 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 t -62.33 -44.24 96.96 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.646 -0.252 . . . . 65.1 111.192 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -63.25 -25.98 68.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.235 0.541 . . . . 63.41 110.136 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 45.1 tp -75.82 -41.42 52.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 73.31 110.128 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.33 -33.73 71.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.722 -0.672 . . . . 70.21 110.017 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.19 -49.18 15.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.504 -0.771 . . . . 72.32 110.167 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.437 ' OH ' ' HD2' ' A' ' 59' ' ' ARG . 87.7 t80 -53.58 -44.85 69.7 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.373 -0.831 . . . . 74.53 111.628 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.72 -48.31 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.429 -0.35 . . . . 73.32 110.661 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -57.81 -27.48 63.17 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.11 -0.495 . . . . 50.52 111.712 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.39 -31.12 57.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.751 0.31 . . . . 75.14 111.156 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -110.75 -56.49 2.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.926 0.394 . . . . 72.54 111.733 -173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.26 114.29 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.13 110.378 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -112.22 -53.73 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.673 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -160.72 150.21 17.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.142 -0.318 . . . . 72.34 110.142 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.19 2.58 67.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.231 -0.509 . . . . 75.33 111.864 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.4 p -112.8 178.29 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.706 0.402 . . . . 71.54 110.039 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.07 162.29 35.3 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.474 -0.33 . . . . 65.32 110.986 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.82 177.16 8.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.005 -0.543 . . . . 75.03 109.913 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.7 152.53 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.544 -0.298 . . . . 74.43 110.733 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.435 HG12 HG22 ' A' ' 50' ' ' VAL . 44.4 t -128.75 120.17 51.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.843 0.354 . . . . 72.42 110.612 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.87 136.42 48.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.06 -0.518 . . . . 72.0 110.382 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -111.28 117.38 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.93 -0.577 . . . . 73.0 109.585 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 2.2 tmm_? -83.11 130.99 35.16 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.764 -0.458 . . . . 74.34 109.764 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mm -76.29 3.93 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.536 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.647 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 17.3 mtp180 57.84 13.9 2.29 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.608 0.718 . . . . 73.4 110.255 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.595 ' HG2' ' N ' ' A' ' 103' ' ' LEU . 21.1 ttmm -134.32 167.24 21.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.179 -0.919 . . . . 74.41 109.776 -170.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.595 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 2.8 tm? -145.8 93.83 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 168.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.1 86.27 7.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.563 . . . . 70.34 109.818 -175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -77.03 124.77 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.434 -0.803 . . . . 71.55 111.252 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -66.01 148.47 51.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.858 -0.61 . . . . 71.45 109.655 171.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -154.12 139.53 17.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.674 0.273 . . . . 73.22 110.787 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -77.02 137.19 38.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 73.43 110.18 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.64 -5.73 19.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.778 . . . . 72.03 108.898 170.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-N 114.834 -1.076 . . . . 74.05 108.835 178.27 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.602 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.839 -0.43 . . . . 70.44 109.839 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 pt -67.49 -33.03 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.0 0.429 . . . . 74.35 110.644 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.07 146.46 18.12 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.235 -0.746 . . . . 37.71 111.235 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.5 mmt -107.58 170.58 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.65 0.262 . . . . 72.41 110.892 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -60.8 134.6 57.25 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 72.2 111.101 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -105.47 94.14 5.05 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.01 -0.541 . . . . 70.54 110.503 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -97.0 -23.79 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 65.11 110.303 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -139.22 140.47 37.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 73.14 110.189 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.81 143.49 14.37 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.096 -0.502 . . . . 73.42 112.858 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.26 -55.5 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.382 -0.97 . . . . 75.14 108.382 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 HD21 ' A' ' 22' ' ' LEU . 63.8 mt -136.62 90.68 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.602 -0.888 . . . . 73.31 108.602 171.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.51 131.42 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 73.12 110.302 -176.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 24.0 mm -113.83 121.91 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.345 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.72 112.7 24.57 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.981 -0.377 . . . . 74.32 109.981 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.552 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -146.93 147.02 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.362 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.0 mm100 53.38 28.24 7.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.897 0.479 . . . . 63.24 111.535 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 45.0 m-80 64.21 44.57 4.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.933 -0.576 . . . . 74.54 110.809 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.59 138.88 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.572 . . . . 75.22 109.625 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HB3' ' HB ' ' A' ' 100' ' ' ILE . 19.1 tt0 -90.46 140.38 29.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.586 -0.524 . . . . 73.43 109.586 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 90.5 m-85 -134.43 158.9 42.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.954 -0.387 . . . . 75.33 109.954 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -131.28 145.1 51.75 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.524 -0.547 . . . . 74.14 109.524 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD21 HD12 ' A' ' 11' ' ' ILE . 50.9 tp -80.6 117.84 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.699 -0.482 . . . . 74.22 109.699 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.87 -22.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.606 0.241 . . . . 74.41 111.444 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.98 138.86 20.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.706 0.288 . . . . 73.01 111.033 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -157.57 142.74 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.629 -0.714 . . . . 74.41 109.547 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -149.28 136.67 20.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.688 -0.486 . . . . 72.13 109.688 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 65.16 28.28 12.2 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.709 0.631 . . . . 60.42 110.567 176.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.6 25.93 12.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 71.31 110.351 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.55 -29.34 60.79 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.786 -0.643 . . . . 51.33 112.31 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -70.1 97.52 1.19 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.372 0.606 . . . . 71.35 110.983 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.9 106.8 14.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.231 -0.895 . . . . 75.04 108.6 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 40.5 tt0 -49.56 -44.72 46.96 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.443 0.464 . . . . 74.32 110.977 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.33 -35.99 72.73 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.039 -0.528 . . . . 72.33 111.151 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.88 62.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.004 0.43 . . . . 73.2 110.292 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.8 -57.86 10.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.653 -0.703 . . . . 74.01 110.694 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.5 ptmm? -61.39 -29.34 69.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.527 . . . . 75.52 111.311 -177.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.2 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.956 0.407 . . . . 72.43 110.774 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -78.47 -26.85 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 73.12 111.521 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.27 124.06 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.155 0.502 . . . . 74.01 111.704 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.7 t -118.33 152.71 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 72.35 108.671 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -60.32 -31.6 70.44 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.622 0.249 . . . . 63.43 111.425 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.0 tp -61.15 -28.94 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.892 0.377 . . . . 73.41 111.159 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.63 -18.95 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.76 0.314 . . . . 72.44 111.308 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.7 -27.05 68.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.457 -0.338 . . . . 65.21 111.335 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.03 -18.37 65.3 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.307 -0.406 . . . . 75.35 111.374 -176.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.464 ' C ' ' H ' ' A' ' 48' ' ' TYR . 95.6 m-85 -82.98 -25.06 32.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.438 -0.346 . . . . 72.31 110.301 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 3.2 p30 48.26 11.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.688 1.195 . . . . 72.54 113.744 -174.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 46' ' ' TYR . 69.3 m-85 -137.24 114.53 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.332 -0.988 . . . . 72.13 108.332 169.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mm -114.51 114.85 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 75.14 110.381 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -104.66 111.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.202 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.54 119.81 5.95 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.933 -0.867 . . . . 73.52 110.933 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -120.0 129.01 54.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -85.4 -41.91 15.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.634 -0.506 . . . . 74.41 109.634 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.49 -90.99 0.01 OUTLIER Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.444 -0.798 . . . . 72.44 114.071 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -88.32 1.78 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 72.52 111.218 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.37 26.69 6.45 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.148 -0.478 . . . . 42.12 112.039 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.5 119.08 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 71.1 109.718 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.04 108.96 15.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 72.42 110.202 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -124.72 140.17 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 73.1 109.593 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.82 112.37 24.31 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.038 0.447 . . . . 64.24 110.014 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -105.47 122.51 46.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.589 -0.893 . . . . 72.41 108.589 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.55 142.67 18.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.87 -0.681 . . . . 70.34 112.666 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -130.13 168.44 16.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 74.15 110.328 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -107.65 170.2 8.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.962 -0.563 . . . . 73.21 109.843 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -61.59 130.3 45.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.046 0.451 . . . . 73.54 110.239 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' CB ' HG23 ' A' ' 77' ' ' ILE . 28.2 t70 -118.45 166.91 12.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.895 -0.593 . . . . 73.24 109.986 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' GLN . 28.2 mm-40 68.08 -73.39 0.08 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.833 0.708 . . . . 71.4 109.519 -175.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.0 t30 53.69 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.62 0.768 . . . . 73.2 112.489 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' GLN . 40.0 mt-30 -85.04 -33.11 22.56 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.827 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -87.75 87.03 7.25 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.784 -0.45 . . . . 74.13 109.784 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.63 140.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.682 -0.69 . . . . 72.5 111.062 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -79.13 80.59 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.523 . . . . 72.24 111.29 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -114.89 98.57 6.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 73.21 109.897 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.79 -29.23 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.232 0.539 . . . . 70.02 110.065 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -84.76 -25.68 28.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 71.34 111.65 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.53 116.13 30.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.928 0.395 . . . . 75.3 111.479 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 66' ' ' ASP . 65.9 mt -95.3 112.03 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.866 -0.791 . . . . 75.02 108.866 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -62.85 -47.06 85.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.672 -0.24 . . . . 72.33 111.349 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -62.59 -24.59 67.64 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.933 0.397 . . . . 74.33 110.636 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD21 HG21 ' A' ' 96' ' ' VAL . 60.3 tp -73.76 -38.14 64.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.155 -0.475 . . . . 72.33 110.282 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.66 -39.25 73.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 60.5 109.979 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.3 -38.15 60.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 65.2 110.218 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.29 -55.14 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.288 -0.869 . . . . 72.55 110.857 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 88' ' ' CYS . 49.3 mm -60.92 -37.5 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 73.31 110.41 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.22 -28.64 63.07 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.745 -0.662 . . . . 74.42 110.512 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.43 -51.82 7.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.951 -0.568 . . . . 72.41 110.756 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -80.2 -84.81 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.989 -0.55 . . . . 74.52 111.38 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.458 ' HB3' HG23 ' A' ' 84' ' ' ILE . 38.8 t -75.84 97.44 3.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.853 0.358 . . . . 64.31 110.276 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -49.63 119.68 3.63 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.032 -0.531 . . . . 70.31 110.009 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -44.81 98.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.749 0.656 . . . . 74.35 110.758 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -22.38 1.19 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.222 -0.899 . . . . 71.21 111.019 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.434 ' SG ' ' C ' ' A' ' 88' ' ' CYS . 3.9 p -88.75 -167.89 2.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.436 0.294 . . . . 65.3 110.473 175.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.17 133.8 49.34 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.388 0.514 . . . . 71.21 112.388 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -160.0 167.02 28.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.487 -0.779 . . . . 75.01 109.129 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -158.06 160.23 37.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.73 0.3 . . . . 73.2 110.827 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.436 HG21 HD21 ' A' ' 80' ' ' LEU . 40.9 t -139.93 123.17 17.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.205 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD22 HG13 ' A' ' 13' ' ' ILE . 10.0 mp -107.39 140.99 39.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.973 0.416 . . . . 74.42 110.812 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -111.21 130.39 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.331 -0.85 . . . . 75.35 109.653 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HB3' ' HB2' ' A' ' 47' ' ' ASP . 3.7 tmm_? -79.38 122.28 26.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.097 0.475 . . . . 71.33 110.465 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 39.5 mm -85.16 144.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 74.22 110.011 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' H ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -90.15 58.42 4.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.084 0.469 . . . . 75.13 111.056 -178.328 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 39.0 mttt -153.76 151.52 29.68 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.65 -0.704 . . . . 73.03 110.623 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 104' ' ' GLU . 1.3 tm? 175.38 143.67 0.06 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.694 -1.225 . . . . 73.25 107.694 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.583 ' N ' HD11 ' A' ' 103' ' ' LEU . 1.8 mp0 -57.36 121.9 11.3 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.724 0.297 . . . . 74.03 111.083 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -68.0 113.42 5.67 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.564 -0.902 . . . . 73.41 108.564 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -58.64 -19.38 38.48 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.448 0.536 . . . . 75.21 112.448 -170.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -81.24 52.03 1.73 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.043 0.449 . . . . 73.22 110.393 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -91.1 3.46 54.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.101 -0.5 . . . . 74.34 110.42 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -157.0 168.15 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.291 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.352 -0.832 . . . . 74.13 109.473 -179.682 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.942 0.401 . . . . 74.42 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -113.2 121.29 65.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.317 -0.402 . . . . 74.41 110.296 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.77 15.03 66.16 Favored Glycine 0 C--N 1.33 0.244 0 CA-C-N 116.203 -0.453 . . . . 74.44 113.147 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.2 ttm -66.1 152.08 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.208 -0.293 . . . . 64.04 110.208 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -57.0 104.21 0.15 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.291 0.567 . . . . 51.04 112.331 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -94.72 141.37 28.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.449 -0.796 . . . . 70.04 109.306 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -133.11 -61.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.024 0.44 . . . . 73.34 110.377 -177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -164.56 29.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.554 . . . . 75.43 110.211 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.0 -110.76 2.59 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.099 -0.801 . . . . 55.31 111.099 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HG2' HG13 ' A' ' 11' ' ' ILE . 34.3 tt0 -159.97 -60.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.778 0.289 . . . . 60.12 110.422 175.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.534 HG13 ' HG2' ' A' ' 10' ' ' GLU . 68.0 mt -130.63 101.94 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.301 -0.409 . . . . 73.13 110.34 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.9 OUTLIER -106.85 135.42 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.812 -0.44 . . . . 74.1 109.812 177.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.51 HG13 HD22 ' A' ' 97' ' ' LEU . 23.4 mm -110.2 108.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 72.51 110.625 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -99.46 126.86 45.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.023 0.44 . . . . 75.43 110.06 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.737 HG12 ' H ' ' A' ' 16' ' ' GLN . 11.0 tt -144.82 -173.09 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.334 -0.617 . . . . 75.33 109.334 -175.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.737 ' H ' HG12 ' A' ' 15' ' ' ILE . 15.6 mm100 -43.03 99.9 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.226 0.61 . . . . 72.22 112.561 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.517 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.8 OUTLIER 55.95 27.58 11.37 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.881 -0.599 . . . . 75.02 111.393 173.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.4 132.82 22.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.842 0.353 . . . . 71.1 111.457 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HB2' HD22 ' A' ' 103' ' ' LEU . 32.7 tt0 -117.69 119.22 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.546 -0.909 . . . . 73.44 108.546 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.13 168.63 11.01 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.295 0.238 . . . . 70.22 110.513 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' MET . 14.8 pt-20 -136.87 143.67 43.15 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.601 -0.518 . . . . 74.43 109.601 169.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' A' ' 25' ' ' ASN . 43.6 tp -79.54 100.38 7.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 62.24 109.604 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.38 -16.51 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.108 -0.496 . . . . 75.43 111.262 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -159.28 133.64 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.555 -0.293 . . . . 73.15 110.508 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' A' ' 28' ' ' ASP . 50.2 t30 -144.03 114.6 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 63.12 109.905 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -102.99 130.23 50.02 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.5 -0.318 . . . . 72.23 110.222 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.47 13.51 8.9 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.125 0.57 . . . . 75.31 110.682 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.487 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 m-20 54.99 33.02 19.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.657 -0.701 . . . . 75.01 110.336 -172.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.89 -4.38 40.83 Favored Glycine 0 C--N 1.334 0.442 0 CA-C-N 115.467 -0.788 . . . . 36.99 112.767 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 71.3 t80 -62.02 103.1 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 75.33 110.767 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -110.3 101.5 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.829 -0.804 . . . . 74.33 108.829 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -56.18 -51.69 67.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.875 -0.602 . . . . 75.04 111.817 -172.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.77 -39.69 71.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.454 -0.339 . . . . 75.25 111.311 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.83 78.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.93 0.395 . . . . 73.32 110.558 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.36 -57.06 14.3 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.28 -19.36 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 73.44 111.7 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.56 -24.03 34.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.811 0.338 . . . . 72.44 111.169 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 5.6 mmp_? -109.2 -4.14 16.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.331 -0.395 . . . . 75.44 111.555 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HA ' HD21 ' A' ' 60' ' ' LEU . 85.3 t80 -60.54 115.69 3.78 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.856 0.36 . . . . 74.35 111.858 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.442 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 45.6 m -95.44 122.2 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 74.44 109.46 173.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -50.59 -40.68 53.13 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.34 0.496 . . . . 63.25 112.34 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tp -55.16 -28.16 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 120.981 0.419 . . . . 75.5 111.875 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 93.1 mt -67.6 -21.14 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 72.14 111.645 -176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.81 -28.61 66.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.005 0.431 . . . . 75.35 111.124 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -60.75 -31.94 71.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.83 -0.623 . . . . 75.33 111.363 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 34.8 m-85 -68.91 -24.2 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 74.41 111.614 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t70 72.61 -0.69 3.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.246 0.618 . . . . 71.45 111.007 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -145.95 115.43 7.16 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.282 -0.417 . . . . 73.51 110.068 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 43' ' ' LEU . 34.6 mm -117.62 117.15 54.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.248 -0.433 . . . . 72.3 109.921 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.512 HG22 HG11 ' A' ' 96' ' ' VAL . 43.6 t -116.78 122.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.554 -0.294 . . . . 74.13 110.532 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -105.23 121.68 6.96 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.66 -0.576 . . . . 70.14 111.66 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -111.22 153.59 25.62 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.044 0.45 . . . . 62.43 111.24 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -111.15 37.34 2.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.474 -0.785 . . . . 75.44 109.661 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -56.34 15.81 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.725 -0.67 . . . . 61.34 113.525 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.57 1.73 56.61 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.936 0.398 . . . . 72.24 110.069 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.58 -26.29 20.69 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.432 -1.067 . . . . 75.34 110.432 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.65 123.06 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.638 -0.505 . . . . 72.34 109.638 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.67 109.28 5.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.153 -0.684 . . . . 75.42 109.153 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.546 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 4.0 mmp_? -114.66 130.18 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.083 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 39' ' ' TYR . 11.1 mp -93.81 113.65 25.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.811 -0.44 . . . . 64.23 109.811 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.5 121.77 45.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.893 -0.594 . . . . 74.25 109.444 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.08 133.34 11.7 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.11 -0.567 . . . . 64.2 112.025 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.547 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 89.2 m-85 -125.76 164.25 21.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 75.13 110.746 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.92 171.69 7.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 74.34 109.86 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.38 131.6 51.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.998 0.428 . . . . 70.41 110.526 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 10.0 t70 -121.46 -88.1 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.593 -0.73 . . . . 73.13 109.23 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -79.67 86.96 5.23 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.454 -0.573 . . . . 75.33 109.454 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -70.93 173.81 6.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 70.23 111.256 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.6 96.33 0.26 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.668 -0.696 . . . . 72.45 110.832 -175.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -140.27 27.55 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.008 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.14 99.95 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.519 -0.764 . . . . 65.22 110.962 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 74' ' ' GLU . 6.6 t -178.11 -168.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.435 -0.95 . . . . 63.21 108.435 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.09 -40.79 67.56 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.224 -1.028 . . . . 73.1 108.224 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' N ' HG22 ' A' ' 72' ' ' THR . 14.4 tt0 69.34 156.41 0.14 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.565 -1.198 . . . . 71.34 110.864 171.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 p 52.12 15.93 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.187 0.595 . . . . 75.22 111.763 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.56 78.69 4.33 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.334 -0.617 . . . . 72.04 109.334 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.531 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.6 mt -62.21 108.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 74.34 110.467 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -57.68 -50.09 74.32 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.101 -0.499 . . . . 73.23 111.131 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 t -61.2 -26.64 67.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.014 0.435 . . . . 75.44 110.79 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 31.9 tp -72.32 -40.63 67.3 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.191 -0.458 . . . . 72.41 110.123 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.47 -39.46 87.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 70.23 109.549 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.0 -29.57 66.68 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.267 -0.879 . . . . 72.23 110.371 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -71.02 -40.64 71.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.627 -0.715 . . . . 75.24 110.616 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.01 -37.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 75.21 110.278 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.39 -17.79 60.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.916 -0.583 . . . . 71.34 111.269 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.27 -29.4 63.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 75.25 111.186 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -110.91 -49.41 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.433 0.635 . . . . 73.44 111.043 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 92' ' ' CYS . 55.8 m -94.5 114.18 26.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.007 -0.997 . . . . 63.33 111.896 -168.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -91.38 -44.19 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.671 -0.863 . . . . 53.33 108.671 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -152.15 -65.46 0.17 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.364 -0.834 . . . . 62.51 109.47 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.45 107.69 2.03 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 110.753 -0.939 . . . . 74.52 110.753 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 88' ' ' CYS . 51.1 t -143.89 168.42 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 65.34 111.107 -172.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -164.97 118.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.712 -0.676 . . . . 74.22 109.814 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -161.36 160.64 29.84 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.794 -0.447 . . . . 74.32 109.794 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 30.1 p90 -136.08 140.28 43.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 61.34 110.802 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.512 HG11 HG22 ' A' ' 50' ' ' VAL . 43.5 t -117.82 117.63 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.39 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 13' ' ' ILE . 10.2 mp -108.53 136.76 47.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.771 -0.65 . . . . 74.24 110.022 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.45 143.29 36.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.457 -0.571 . . . . 65.42 109.457 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -75.52 116.85 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 73.11 110.947 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 102' ' ' LYS . 49.6 mm -76.28 111.57 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.886 -1.153 . . . . 74.12 107.886 168.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -69.88 78.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.093 0.949 . . . . 73.54 109.369 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 100' ' ' ILE . 31.7 tttm 175.92 136.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 113.519 -1.673 . . . . 73.44 108.536 -171.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? -179.62 107.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.196 -1.039 . . . . 73.01 108.196 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.93 108.2 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.51 0.672 . . . . 73.02 110.526 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -132.55 116.29 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.859 -1.064 . . . . 71.31 109.09 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -64.94 77.82 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.669 0.747 . . . . 73.2 110.927 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.99 134.56 34.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 71.12 109.705 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -51.65 116.96 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.46 0.475 . . . . 73.35 110.426 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -138.97 158.25 44.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.118 -0.492 . . . . 63.51 109.893 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.245 0.86 0 N-CA-C 109.441 -0.577 . . . . 75.21 109.441 177.046 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 109.958 -0.386 . . . . 73.21 109.958 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.54 139.29 47.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 120.72 0.295 . . . . 73.22 110.774 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.66 83.82 0.56 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.205 -0.521 . . . . 42.51 111.847 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.65 -41.8 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.128 0.49 . . . . 75.02 110.104 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -126.07 -2.73 7.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.595 -0.729 . . . . 74.42 109.266 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 9.2 mp0 -92.52 8.45 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.299 -0.864 . . . . 55.3 109.885 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -70.64 83.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 74.52 110.901 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.61 ' NH2' HG21 ' A' ' 100' ' ' ILE . 48.3 tpt85 -85.84 -39.87 16.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 74.11 109.889 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.12 -169.61 18.45 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.231 -1.148 . . . . 74.2 110.231 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.7 -50.53 64.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 117.674 0.737 . . . . 72.03 109.603 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 22' ' ' LEU . 49.9 mt -127.09 87.52 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.772 -0.649 . . . . 73.22 109.312 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.487 -0.779 . . . . 73.01 110.506 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 HG13 HD22 ' A' ' 97' ' ' LEU . 20.5 mm -120.99 98.86 6.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.488 -0.56 . . . . 75.14 109.488 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.42 122.24 43.91 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.417 -0.586 . . . . 72.42 109.417 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.0 tt -150.73 136.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.574 -0.285 . . . . 74.54 110.978 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.572 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.9 mm-40 53.99 45.97 26.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.004 -0.543 . . . . 71.53 111.654 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 58.08 38.66 26.58 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.031 -0.531 . . . . 65.32 110.805 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.21 142.1 42.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 54.01 110.325 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 103' ' ' LEU . 40.5 tt0 -101.95 114.18 28.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.596 -0.729 . . . . 75.22 110.383 -176.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -120.04 164.47 16.09 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.617 -0.512 . . . . 71.54 109.617 175.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.57 ' HG2' HD12 ' A' ' 100' ' ' ILE . 11.0 pt-20 -147.05 149.29 32.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.929 -0.767 . . . . 72.1 108.929 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.48 HD23 HD11 ' A' ' 11' ' ' ILE . 57.7 tp -74.29 102.97 4.52 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.651 -0.5 . . . . 73.34 109.651 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -92.5 -22.92 5.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.068 -0.515 . . . . 75.01 111.417 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.5 t60 -156.77 135.32 11.51 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.308 -0.256 . . . . 64.33 110.308 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -143.71 137.74 28.37 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -137.3 135.3 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.058 -0.349 . . . . 64.33 110.058 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.65 19.58 11.44 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.985 -0.552 . . . . 73.12 110.737 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 57.26 32.14 21.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.955 -0.566 . . . . 75.12 110.774 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -16.66 64.12 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.995 -0.548 . . . . 74.54 112.502 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.31 130.61 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.73 0.3 . . . . 74.54 111.175 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.574 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.1 t-20 -154.47 125.44 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.106 -0.702 . . . . 75.21 109.106 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 26.6 tt0 -61.14 -50.66 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.504 -0.317 . . . . 72.02 111.571 -174.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.574 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.8 pt-20 -58.82 -32.94 69.83 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.732 0.301 . . . . 73.23 111.161 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.3 -42.07 31.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 71.4 110.359 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.94 -58.06 10.06 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.783 -0.644 . . . . 75.3 110.989 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.7 ptmt -63.7 -19.76 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 74.31 111.488 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.58 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 73.51 110.849 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.8 mmp_? -92.54 -1.45 56.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.362 -0.381 . . . . 74.21 111.725 -176.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.86 142.16 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.817 -0.438 . . . . 73.05 109.817 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.2 t -139.98 158.27 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 72.53 110.373 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.46 -47.64 84.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.621 -0.718 . . . . 74.22 112.082 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.05 -31.22 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.01 0.434 . . . . 75.24 111.337 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 88.6 mt -67.58 -30.14 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 64.54 111.13 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -55.02 -45.65 75.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 72.32 112.105 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -70.31 -12.84 61.86 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.444 0.535 . . . . 73.2 112.444 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.565 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 70.6 m-85 -71.63 -26.48 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.36 -0.212 . . . . 74.53 110.5 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 19.0 t70 76.59 -0.31 3.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.332 0.653 . . . . 74.23 110.901 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -142.97 127.12 17.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.485 . . . . 71.14 110.221 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 43' ' ' LEU . 24.0 mm -119.31 113.49 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.496 -0.557 . . . . 73.1 109.496 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.8 p -124.87 120.84 59.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.81 0.338 . . . . 64.15 110.31 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.02 125.73 8.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.189 -0.529 . . . . 73.31 112.147 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -104.65 133.84 48.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.924 0.393 . . . . 73.22 110.285 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.403 ' CZ2' HD21 ' A' ' 58' ' ' LEU . 77.0 m95 -97.02 -0.71 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.834 -0.621 . . . . 72.55 109.756 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.3 92.99 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 115.765 -0.652 . . . . 74.31 112.712 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.17 -14.91 63.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.913 0.387 . . . . 75.31 110.577 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.37 -51.35 0.7 Allowed Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 111.573 -0.611 . . . . 52.31 111.573 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -103.98 131.47 51.2 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.316 -0.624 . . . . 72.41 109.316 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 59.9 tp -56.39 117.05 3.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.188 0.518 . . . . 74.12 111.943 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.529 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 29.0 ttm105 -113.04 129.16 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.512 -0.767 . . . . 73.12 109.619 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 38' ' ' ARG . 10.1 mp -94.37 107.5 19.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.432 -0.581 . . . . 62.42 109.432 173.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -99.12 163.03 12.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 75.4 109.409 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.26 144.62 15.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.979 -0.629 . . . . 75.12 112.357 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -137.78 168.3 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.866 -0.42 . . . . 75.31 109.866 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.98 164.83 11.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.611 -0.514 . . . . 72.55 109.611 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 109.56 1.05 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.517 0.675 . . . . 63.41 110.492 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -103.24 167.93 9.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.135 -0.939 . . . . 74.14 109.672 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 63.62 30.07 15.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.823 0.344 . . . . 75.32 111.185 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -61.0 92.34 0.03 OUTLIER 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.363 0.601 . . . . 75.1 110.415 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -150.81 168.92 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.096 -0.957 . . . . 71.0 108.927 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.26 -16.99 61.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.816 0.341 . . . . 75.45 110.987 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.44 111.43 0.53 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.107 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -81.87 106.72 14.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.161 0.505 . . . . 73.14 111.358 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -136.95 148.25 46.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 72.33 109.48 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -80.82 -38.98 27.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.553 -0.294 . . . . 65.41 110.705 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -155.59 103.09 2.27 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.507 . . . . 64.42 110.666 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -145.97 133.8 21.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.687 0.28 . . . . 75.25 110.273 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -144.38 114.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.004 -0.739 . . . . 75.23 109.004 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -72.44 -45.51 59.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 73.02 111.076 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -61.69 -18.91 61.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.986 0.422 . . . . 75.24 110.853 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 84' ' ' ILE . 50.6 tp -64.04 -47.64 79.42 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 109.703 -0.48 . . . . 74.35 109.703 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.53 -41.06 96.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.641 -0.709 . . . . 60.42 110.081 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.06 -38.23 78.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.653 -0.703 . . . . 73.12 110.706 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -71.89 -48.72 43.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.72 -0.673 . . . . 75.44 110.621 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 88' ' ' CYS . 46.9 mm -57.85 -41.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 75.12 110.28 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -56.42 -26.02 52.1 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.621 . . . . 72.54 111.641 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.92 -56.61 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.361 -0.381 . . . . 73.13 111.51 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -88.1 -42.34 12.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 75.55 111.413 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.578 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 44.3 t -113.21 85.44 2.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.431 -174.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.32 150.82 46.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.979 -0.555 . . . . 74.22 110.784 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.0 t80 67.01 -73.59 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.776 0.672 . . . . 74.5 110.776 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.46 75.89 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.521 -0.632 . . . . 64.1 111.521 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.578 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.5 p -89.02 -157.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.264 -0.273 . . . . 74.24 110.264 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.59 127.44 32.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.873 0.368 . . . . 72.31 111.599 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -165.21 155.04 13.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.754 -0.657 . . . . 73.14 109.607 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.43 152.1 42.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.5 -0.318 . . . . 75.11 110.554 -177.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.417 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 46.5 t -129.48 121.85 54.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 123.504 0.503 . . . . 73.24 110.91 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.491 HD22 HG13 ' A' ' 13' ' ' ILE . 11.3 mp -111.91 147.77 35.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.029 -0.73 . . . . 54.11 109.029 171.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -113.07 133.68 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.181 -0.303 . . . . 74.33 110.181 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 6.5 tmm_? -74.92 93.17 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.867 -1.16 . . . . 72.42 107.867 174.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.61 HG21 ' NH2' ' A' ' 8' ' ' ARG . 40.8 mm -61.14 -71.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 74.1 111.791 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -167.0 -170.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.0 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -85.32 75.88 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.42 0.526 . . . . 73.21 112.42 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.522 ' N ' HD21 ' A' ' 103' ' ' LEU . 2.5 mm? 50.97 103.94 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.299 0.999 . . . . 75.33 113.156 165.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -91.68 124.56 35.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 74.12 111.752 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -79.59 63.44 4.18 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.794 -0.639 . . . . 71.34 109.782 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -79.2 72.66 5.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 72.41 110.834 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -86.93 -13.39 44.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 71.3 110.399 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -74.6 86.67 2.12 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.696 -0.483 . . . . 72.12 109.696 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 110' ' ' HIS . 38.2 t-80 -87.16 -23.03 24.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 74.25 110.617 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 109' ' ' HIS . 4.1 p-80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 124.761 1.224 . . . . 74.31 110.893 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.646 0.26 . . . . 74.1 110.387 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.23 86.66 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.685 -0.487 . . . . 73.31 109.685 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.62 107.95 3.26 Favored Glycine 0 C--O 1.238 0.356 0 CA-C-N 115.635 -0.712 . . . . 60.12 111.363 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.29 90.37 0.1 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.833 0.349 . . . . 62.14 110.901 -177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 p -80.64 61.74 4.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.496 0.665 . . . . 74.12 110.581 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.54 80.85 6.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.381 -0.827 . . . . 64.12 110.089 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -98.07 -66.89 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.626 -0.715 . . . . 74.24 109.863 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -163.9 144.97 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.515 -0.766 . . . . 72.33 109.392 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.63 148.93 12.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 63.03 111.78 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.27 -63.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.502 -0.555 . . . . 73.31 109.502 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.434 HD11 HD21 ' A' ' 22' ' ' LEU . 75.8 mt -143.85 93.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.591 -0.731 . . . . 73.24 109.211 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.07 122.11 41.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.044 -0.525 . . . . 75.43 110.694 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.1 mm -107.32 101.24 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 75.32 110.236 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' N ' HD11 ' A' ' 14' ' ' LEU . 6.5 mp -92.88 111.13 22.63 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.682 -0.488 . . . . 74.02 109.682 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.552 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.2 tt -141.94 134.07 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.306 -0.406 . . . . 62.41 110.871 -176.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.0 mm-40 52.81 39.95 29.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.867 0.467 . . . . 73.24 111.27 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 58.38 43.97 19.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.39 0.614 . . . . 61.54 110.778 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.3 118.53 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 63.34 109.681 174.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.98 116.3 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 73.41 110.117 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -115.09 167.15 11.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.436 -0.347 . . . . 73.31 110.315 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.4 pt-20 -134.3 144.1 48.13 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.51 -0.552 . . . . 64.23 109.51 171.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 25' ' ' ASN . 48.2 tp -82.14 100.93 10.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.682 -0.488 . . . . 63.3 109.682 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.78 -29.17 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 74.31 111.163 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -146.57 133.59 20.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 64.12 110.644 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB2' HD23 ' A' ' 22' ' ' LEU . 41.0 t30 -140.12 108.43 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.45 -0.574 . . . . 75.21 109.45 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 33.6 t80 -93.29 126.32 38.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 71.52 110.726 -176.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 9.9 mmpt? 60.71 23.41 13.28 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.713 0.633 . . . . 73.14 111.503 175.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.47 38.48 28.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.146 0.498 . . . . 74.3 110.99 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.53 ' HA3' ' HB3' ' A' ' 93' ' ' ALA . . . -77.34 -1.81 76.92 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.803 -0.635 . . . . 62.32 112.88 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.3 97.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 71.34 111.177 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -112.03 102.26 10.49 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.47 -0.567 . . . . 75.11 109.47 172.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 17.6 tt0 -55.18 -42.62 73.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.747 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.03 -40.39 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 72.21 111.282 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.91 57.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 75.11 110.162 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -57.82 -58.56 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 74.43 111.152 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.5 ptmt -68.32 -19.46 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 74.14 111.403 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -42.99 19.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.214 -0.448 . . . . 54.11 110.798 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.8 mmp_? -89.18 -6.39 56.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.292 -177.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -57.07 139.18 53.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 73.51 110.474 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -132.39 152.4 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.485 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.19 -41.26 79.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.226 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 8.0 tp -58.49 -28.44 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.007 -0.542 . . . . 74.15 111.445 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 49' ' ' ILE . 95.5 mt -73.73 -24.75 59.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 74.23 111.807 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.62 -27.07 66.0 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.42 0.526 . . . . 74.54 112.42 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -79.66 -20.37 46.82 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.948 0.722 . . . . 71.25 112.948 -172.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.9 m-85 -72.2 -25.68 61.76 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.988 0.736 . . . . 70.14 112.988 -170.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.7 m-20 69.11 0.29 2.76 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.831 0.452 . . . . 74.33 111.64 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.863 0.465 . . . . 74.32 109.804 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 43' ' ' LEU . 43.8 mm -118.6 115.12 47.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.33 109.897 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 HG11 ' A' ' 96' ' ' VAL . 68.1 t -112.83 125.03 70.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.288 -0.415 . . . . 75.13 110.007 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -101.64 120.25 6.79 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.928 -0.869 . . . . 51.13 110.928 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -111.4 152.07 27.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.118 -0.327 . . . . 65.21 110.118 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -104.61 39.1 1.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.138 -0.483 . . . . 75.24 109.867 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.92 128.74 48.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.576 -0.738 . . . . 74.04 111.961 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.0 t80 67.75 1.73 2.76 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.019 0.527 . . . . 74.51 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.57 -7.09 45.79 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 121.209 -0.519 . . . . 62.42 112.836 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.73 134.09 48.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.28 -0.267 . . . . 72.23 110.28 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.6 120.24 23.66 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.984 -0.376 . . . . 64.54 109.984 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.507 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 19.8 ttm180 -126.45 142.5 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 74.21 110.549 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.8 mp -100.16 112.09 24.4 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.487 -0.56 . . . . 72.12 109.487 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 9.8 tmtt? -106.96 129.76 54.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 63.33 108.784 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -86.32 127.85 8.56 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.874 -0.679 . . . . 50.05 111.994 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 94.7 m-85 -118.48 161.81 19.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.32 . . . . 72.42 110.44 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.88 170.03 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.078 -0.51 . . . . 74.32 109.823 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.33 132.31 40.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 74.43 110.779 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.57 172.69 7.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.009 -0.541 . . . . 72.42 110.722 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 63.92 -4.44 0.37 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.237 -0.892 . . . . 65.43 113.379 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -73.77 76.23 1.58 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.718 0.771 . . . . 74.31 109.39 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -166.02 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.242 -1.345 . . . . 73.52 108.266 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -135.9 136.65 40.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.853 -1.067 . . . . 75.25 108.291 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 87.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.995 0.426 . . . . 70.44 111.004 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 m -111.14 -79.36 0.58 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.002 -0.545 . . . . 74.41 110.366 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -165.04 104.23 0.77 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.162 -0.681 . . . . 73.41 109.162 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -27.14 63.44 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.093 -0.503 . . . . 63.41 112.113 -173.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 p -90.73 3.33 54.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 71.24 111.938 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -105.55 110.77 23.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.114 0.483 . . . . 72.35 110.544 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.6 mt -93.79 135.47 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.872 -0.604 . . . . 74.14 110.024 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.7 m -77.75 -52.17 9.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 73.04 110.515 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -57.66 -24.27 55.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.994 0.426 . . . . 75.25 110.775 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 84' ' ' ILE . 36.5 tp -61.71 -60.25 3.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 71.52 110.975 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.48 -33.83 73.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.013 0.435 . . . . 74.1 110.645 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -66.29 -40.86 90.31 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.858 -0.61 . . . . 75.5 110.376 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -66.61 -44.96 80.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.66 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.3 mm -59.39 -40.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.635 . . . . 75.15 110.9 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.88 -28.22 67.36 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.046 -0.525 . . . . 75.41 111.294 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.74 -36.17 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 75.14 111.766 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -118.72 -38.67 3.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.596 0.591 . . . . 73.04 112.596 -170.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.631 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.9 t -116.23 34.07 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.859 0.318 . . . . 74.54 111.859 -168.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -67.0 -28.86 68.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.812 0.339 . . . . 75.35 110.671 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.55 -1.48 34.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.474 -0.33 . . . . 65.1 111.331 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.79 108.24 0.17 Allowed Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.089 -0.577 . . . . 70.25 112.418 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.631 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 26.7 p -129.6 -78.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.767 -0.255 . . . . 61.31 110.702 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB3' ' HA3' ' A' ' 29' ' ' GLY . . . 176.01 141.2 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.648 0.379 . . . . 71.11 110.503 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -169.85 158.65 7.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.721 -0.474 . . . . 75.42 109.721 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -138.85 146.86 41.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.529 0.204 . . . . 75.23 111.034 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 HG22 ' A' ' 50' ' ' VAL . 47.3 t -120.44 121.04 64.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.355 -0.384 . . . . 72.24 110.828 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 10.4 mp -109.38 130.54 55.49 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.805 0.442 . . . . 75.5 110.756 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -107.88 128.79 54.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 73.34 109.92 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 47' ' ' ASP . 46.4 ttp180 -77.45 128.84 34.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.977 -0.379 . . . . 73.23 109.977 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.438 ' CG2' ' HG2' ' A' ' 102' ' ' LYS . 20.0 mm -83.31 158.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 71.54 110.387 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -79.6 -1.14 36.66 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.234 -0.439 . . . . 73.4 111.519 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' HG2' ' CG2' ' A' ' 100' ' ' ILE . 13.8 ptmm? -108.23 161.14 15.27 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.877 -0.416 . . . . 73.04 109.877 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -136.58 96.05 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.473 -0.936 . . . . 75.21 108.473 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.52 117.39 10.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 72.5 109.571 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -62.11 156.78 20.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 75.45 111.805 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -51.96 125.83 16.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.647 -0.706 . . . . 74.25 111.479 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.0 71.55 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.739 -0.664 . . . . 74.2 109.985 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -67.65 122.96 19.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 73.04 110.782 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -153.21 123.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.706 -0.679 . . . . 74.25 109.88 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.599 -0.715 . . . . 72.42 109.257 174.428 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.087 -0.338 . . . . 75.14 110.087 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.874 ' HB ' ' HZ3' ' A' ' 102' ' ' LYS . 42.5 mm -128.13 98.61 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.798 -0.445 . . . . 71.1 109.798 176.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.53 -66.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.329 -0.708 . . . . 62.51 111.329 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -85.78 -12.45 50.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.777 0.322 . . . . 74.12 110.778 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -96.17 -176.25 3.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.084 -0.507 . . . . 61.21 110.116 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -155.5 139.49 16.37 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.007 -0.368 . . . . 73.12 110.007 -175.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HZ3' ' HG2' ' A' ' 104' ' ' GLU . 17.2 ptpt -83.07 -20.3 35.19 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.744 0.307 . . . . 71.54 110.305 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 64.96 28.69 12.55 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.706 -0.679 . . . . 74.12 111.296 170.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.12 114.11 4.6 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.053 -0.594 . . . . 55.03 111.824 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.75 -50.28 74.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.804 0.335 . . . . 74.31 110.444 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.459 HD11 HD21 ' A' ' 22' ' ' LEU . 60.1 mt -127.59 101.15 6.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 73.42 110.121 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.15 140.19 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.432 -0.804 . . . . 73.21 110.306 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.514 HG13 HD22 ' A' ' 97' ' ' LEU . 31.2 mm -122.18 110.67 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.366 -0.605 . . . . 71.12 109.366 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.47 115.61 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.311 . . . . 74.41 110.321 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.594 HG12 ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -150.53 135.65 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.346 -0.388 . . . . 71.03 110.936 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.594 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.1 mm-40 56.88 35.63 26.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.094 0.473 . . . . 73.34 110.835 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 59.66 17.01 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.589 -0.732 . . . . 74.35 111.559 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.05 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.902 -0.777 . . . . 63.02 108.902 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 103' ' ' LEU . 38.9 tt0 -104.78 132.98 50.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.051 -0.352 . . . . 74.21 110.051 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 97.6 m-85 -133.72 164.58 26.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.182 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HG2' HD12 ' A' ' 100' ' ' ILE . 6.8 pt-20 -133.46 148.2 51.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.152 -0.684 . . . . 72.02 109.152 169.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 11' ' ' ILE . 47.3 tp -77.28 100.34 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 71.45 109.737 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.71 -21.59 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.52 -0.309 . . . . 75.3 111.244 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 21.8 t-80 -150.94 133.53 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.952 -0.388 . . . . 74.22 109.952 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 28' ' ' ASP . 53.2 t30 -141.76 126.52 18.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.225 -0.657 . . . . 74.44 109.225 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 41.9 t80 -118.62 128.15 54.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 73.43 110.299 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 8.7 mmpt? 60.58 21.48 11.3 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.746 0.654 . . . . 73.02 110.36 178.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HA ' HD22 ' A' ' 25' ' ' ASN . 42.4 m-20 54.06 32.55 15.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.4 -0.818 . . . . 74.33 111.175 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA3' ' HB3' ' A' ' 93' ' ' ALA . . . -71.09 -7.71 63.33 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 116.005 -0.543 . . . . 54.2 112.924 -177.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -69.54 92.39 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.268 0.556 . . . . 73.4 111.096 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -94.92 106.89 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.928 -0.767 . . . . 72.43 108.928 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.8 -46.85 74.56 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.431 -0.35 . . . . 74.42 111.523 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.01 -42.13 97.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.804 -0.18 . . . . 71.34 110.687 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.49 94.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.936 0.398 . . . . 65.41 110.268 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -56.7 -58.8 6.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.695 -0.684 . . . . 75.33 110.643 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HB2' HD12 ' A' ' 15' ' ' ILE . 13.4 ptmm? -68.91 -20.91 64.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.728 -0.669 . . . . 75.21 111.625 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.33 -16.55 45.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.44 -0.345 . . . . 71.43 111.218 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.536 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -111.68 -14.75 13.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.75 0.309 . . . . 73.54 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.56 158.71 26.35 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.043 -0.526 . . . . 61.33 110.901 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.6 t -154.66 167.51 29.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.2 -0.455 . . . . 70.44 109.85 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.2 -52.05 66.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.071 0.548 . . . . 61.54 112.476 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.72 -29.5 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 112.344 0.498 . . . . 64.43 112.344 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.46 -25.42 68.0 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.687 0.28 . . . . 75.11 111.406 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.18 -25.83 68.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.429 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -70.32 -16.78 63.04 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.299 -0.41 . . . . 74.35 111.759 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.5 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 71.7 m-85 -84.25 -31.14 25.15 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.61 0.226 . . . . 74.5 111.61 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HA ' ' HB2' ' A' ' 99' ' ' ARG . 2.4 m-20 66.18 0.96 1.81 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.993 0.517 . . . . 74.43 111.974 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.89 118.46 10.97 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.156 0.582 . . . . 72.32 109.672 177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.6 mm -118.81 118.18 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.34 110.083 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.75 114.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 75.41 109.659 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.39 120.23 6.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.67 -0.776 . . . . 60.34 111.638 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.75 131.8 52.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.291 -0.263 . . . . 72.01 110.291 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.06 -37.89 37.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.602 -0.888 . . . . 73.12 108.602 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.04 -87.01 0.01 OUTLIER Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.341 -0.845 . . . . 43.43 112.859 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -104.07 -26.76 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.821 0.344 . . . . 74.45 110.337 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.49 -28.0 0.49 Allowed Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.839 -0.619 . . . . 64.45 111.592 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.83 101.82 11.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 74.12 110.483 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.87 117.14 8.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.844 -0.617 . . . . 74.53 110.093 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -129.7 145.06 51.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.545 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.11 118.97 37.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.227 -0.442 . . . . 70.22 110.633 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -106.41 135.45 47.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.55 -0.75 . . . . 71.2 109.42 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.64 146.12 17.97 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.792 -0.718 . . . . 62.44 112.191 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 71.8 m-85 -141.57 163.69 32.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.521 -0.548 . . . . 73.44 109.521 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.62 163.89 12.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.986 -0.376 . . . . 71.05 109.986 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.84 119.72 12.99 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.291 -0.633 . . . . 73.35 109.291 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' ' 77' ' ' ILE . 35.2 t70 -93.24 -3.77 53.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.742 -0.663 . . . . 75.35 110.901 -174.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -119.62 -63.27 1.4 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.035 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 61.5 28.16 17.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.638 0.375 . . . . 73.22 110.964 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -104.55 170.1 8.09 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.036 0.446 . . . . 73.13 111.115 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 16.93 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 73.14 109.817 172.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.29 -178.66 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.427 -0.806 . . . . 74.32 111.108 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.6 t -66.31 -19.41 65.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.953 0.406 . . . . 75.11 110.283 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -118.99 117.16 28.04 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.434 -0.58 . . . . 73.13 109.434 172.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -134.48 14.35 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.355 0.598 . . . . 55.3 109.842 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.7 p -137.13 14.59 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.35 -0.841 . . . . 72.4 110.235 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.5 102.68 10.77 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.13 -0.486 . . . . 73.11 111.096 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 66' ' ' ASP . 69.7 mt -82.51 133.87 28.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.145 -0.48 . . . . 72.41 109.932 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -55.92 5.31 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.565 -0.289 . . . . 72.41 111.148 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -60.2 -21.43 61.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.851 0.358 . . . . 73.41 111.219 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.126 -0.488 . . . . 72.53 110.702 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.92 -47.41 85.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.388 0.613 . . . . 71.33 110.267 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -71.1 -31.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.078 -0.965 . . . . 71.34 110.838 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.11 -52.87 52.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 72.45 110.615 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.83 -38.32 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.368 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.576 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 50.8 t80 -50.49 -46.29 56.88 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.779 -0.646 . . . . 74.41 111.244 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.72 -28.79 69.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.38 -0.373 . . . . 71.32 111.727 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -118.0 -94.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.251 0.463 . . . . 71.43 112.251 -172.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.0 t -95.29 49.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 75.33 111.187 -168.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.576 ' HB3' ' HA ' ' A' ' 85' ' ' TYR . 10.0 p30 -69.24 -35.19 75.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.597 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -170.1 144.56 2.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.298 -0.41 . . . . 74.4 109.984 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 -5.42 44.68 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.44 -0.409 . . . . 75.05 112.337 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 p -148.79 -163.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.13 -0.693 . . . . 70.54 109.13 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' HB3' ' HA3' ' A' ' 29' ' ' GLY . . . -133.08 154.55 50.46 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.78 0.324 . . . . 74.25 111.327 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -155.03 164.2 39.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.751 -0.659 . . . . 73.42 109.436 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.86 155.05 43.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.612 0.244 . . . . 74.54 111.071 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 36.1 t -132.07 125.56 54.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 116.02 -0.536 . . . . 72.25 109.961 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.514 HD22 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -119.1 144.46 46.6 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.068 -0.515 . . . . 74.32 109.899 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -115.7 142.82 46.24 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.974 -0.38 . . . . 73.43 109.974 174.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.55 ' HB2' ' HA ' ' A' ' 47' ' ' ASP . 1.4 tmt_? -79.31 108.2 12.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 70.33 110.292 -176.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.514 HD12 ' HG2' ' A' ' 21' ' ' GLU . 39.8 mm -75.75 135.38 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.731 -0.47 . . . . 75.34 109.731 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.66 77.37 8.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.452 0.538 . . . . 72.44 112.452 -169.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.874 ' HZ3' ' HB ' ' A' ' 2' ' ' ILE . 78.0 tttt -174.81 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.835 -0.62 . . . . 71.51 111.243 168.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 19' ' ' GLU . 3.3 tm? 81.61 105.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.148 0.905 . . . . 74.25 109.552 -171.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' OE2' ' HD3' ' A' ' 102' ' ' LYS . 75.9 mm-40 -68.98 81.72 0.31 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.141 -0.481 . . . . 63.03 110.704 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.68 70.96 6.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.243 0.545 . . . . 73.53 109.823 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -84.8 175.28 9.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.764 -0.653 . . . . 71.23 110.424 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.25 34.57 0.31 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.309 -0.405 . . . . 71.41 111.599 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 32.9 m170 60.38 92.32 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.453 0.538 . . . . 70.42 112.453 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -106.44 138.09 43.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.148 -0.686 . . . . 73.43 109.148 170.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.439 -0.791 . . . . 72.31 110.203 -177.256 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.44 0.162 . . . . 70.25 111.436 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 pt -76.92 140.78 16.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.98 0.419 . . . . 75.33 111.133 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.55 87.14 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.946 -0.57 . . . . 71.13 112.531 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.4 mtt -75.01 173.14 11.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.828 0.347 . . . . 73.35 110.658 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -149.69 139.92 22.21 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.131 -0.486 . . . . 75.43 109.923 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -148.93 132.45 16.72 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.646 -0.252 . . . . 70.24 110.369 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -124.1 157.57 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.794 -0.447 . . . . 71.43 109.794 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -146.95 -64.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 74.44 110.324 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.57 -81.65 0.08 OUTLIER Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.951 -0.568 . . . . 72.31 111.758 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG2' HG13 ' A' ' 11' ' ' ILE . 37.0 tt0 -167.49 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.132 -0.692 . . . . 74.01 109.132 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD11 HD21 ' A' ' 22' ' ' LEU . 62.4 mt -125.34 112.39 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 73.44 109.29 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.36 131.13 54.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 71.51 110.266 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.402 HG13 HD22 ' A' ' 97' ' ' LEU . 25.2 mm -117.57 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 73.51 110.247 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.78 115.1 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 71.52 110.108 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG12 ' HG2' ' A' ' 16' ' ' GLN . 9.3 tt -150.47 139.67 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.41 -0.359 . . . . 74.22 110.781 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.503 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.8 mm100 55.27 40.01 31.47 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.402 0.439 . . . . 74.22 111.609 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 64.11 15.62 9.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.904 -0.589 . . . . 74.31 110.88 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.16 126.8 55.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 63.53 109.71 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.598 ' H ' ' NH1' ' A' ' 99' ' ' ARG . 43.1 tt0 -104.12 128.13 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.065 -0.516 . . . . 74.43 110.038 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' LYS . 96.7 m-85 -131.85 161.9 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 74.52 110.714 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -129.86 135.32 48.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.28 -0.637 . . . . 75.21 109.28 170.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 HD11 ' A' ' 11' ' ' ILE . 64.1 tp -73.86 100.49 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.703 -0.48 . . . . 75.45 109.703 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.91 -26.42 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.044 -0.525 . . . . 64.01 111.97 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -146.84 135.11 21.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 75.22 110.999 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -130.73 141.54 50.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.985 -0.746 . . . . 61.42 108.985 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -132.85 115.61 15.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.865 -0.42 . . . . 73.11 109.865 -176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 59.87 28.28 17.75 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.486 0.491 . . . . 75.13 111.083 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.0 t70 58.34 31.91 21.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.751 -0.659 . . . . 64.21 110.76 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.1 -4.76 30.25 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.795 -0.639 . . . . 74.25 113.061 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -72.84 113.1 9.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 75.44 110.944 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -135.91 102.17 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.605 -0.887 . . . . 74.04 108.605 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 34.1 tt0 -59.05 -41.88 88.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.956 -0.565 . . . . 73.2 112.064 -168.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -55.15 -41.77 72.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.962 0.411 . . . . 73.45 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.58 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 72.44 110.548 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.35 -59.54 4.56 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.949 -0.569 . . . . 75.11 110.643 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 13.0 ptmm? -61.1 -30.31 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 74.21 111.249 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.7 76.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.255 -0.429 . . . . 74.42 110.995 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -103.05 5.79 38.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.348 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' A' ' 60' ' ' LEU . 72.9 t80 -78.99 151.75 31.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.265 0.555 . . . . 74.33 111.17 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -142.13 147.23 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.424 -0.807 . . . . 74.11 109.398 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.99 -27.58 68.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.07 0.462 . . . . 75.05 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.67 -25.44 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.984 -0.553 . . . . 72.41 111.071 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 49' ' ' ILE . 90.7 mt -71.24 -22.88 61.93 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.985 -0.552 . . . . 73.23 111.744 -174.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.24 -21.95 50.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.025 0.44 . . . . 74.4 111.015 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -63.71 -31.91 73.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.481 -0.781 . . . . 75.12 112.365 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.49 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.9 m-85 -86.42 -23.49 26.05 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.82 0.674 . . . . 71.32 112.82 -167.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 25.6 m-20 70.73 -0.69 2.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.269 0.627 . . . . 64.11 112.05 -176.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -148.31 119.56 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.749 0.309 . . . . 73.54 110.385 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.465 HD13 ' HB3' ' A' ' 43' ' ' LEU . 23.9 mm -115.95 116.21 51.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.028 -0.533 . . . . 74.52 110.037 -178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 96' ' ' VAL . 60.3 t -113.92 113.66 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.539 -0.301 . . . . 73.14 110.209 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.91 121.66 7.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.88 -0.676 . . . . 70.51 111.798 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.25 155.71 21.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.011 0.434 . . . . 75.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.51 38.75 2.37 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.597 -0.728 . . . . 74.44 110.276 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.63 -62.73 5.91 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.978 -0.556 . . . . 72.15 112.806 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -80.63 -39.24 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 75.02 110.268 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.94 -49.61 0.72 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.328 -1.109 . . . . 64.12 110.328 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.99 116.63 5.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.939 -0.763 . . . . 73.31 108.939 170.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.2 109.58 0.69 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 74.22 109.311 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.544 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 92.8 mtt180 -101.09 130.15 47.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.26 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 39' ' ' TYR . 88.7 mt -97.56 109.72 22.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 72.21 110.14 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.2 tmtt? -97.43 127.94 43.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.734 -0.839 . . . . 73.13 108.734 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.546 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -91.14 123.37 7.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.207 -0.52 . . . . 52.23 112.141 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 88.2 m-85 -116.13 156.13 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.638 0.256 . . . . 73.13 110.452 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -102.82 159.29 15.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.122 -0.695 . . . . 75.45 109.122 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.777 ' HB2' HD22 ' A' ' 68' ' ' ASN . 1.1 p-10 -68.92 130.99 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.766 0.317 . . . . 75.11 110.809 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -104.36 -62.26 1.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.772 -0.455 . . . . 72.34 109.772 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -122.77 102.15 7.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.214 0.531 . . . . 75.11 111.622 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.777 HD22 ' HB2' ' A' ' 65' ' ' ASP . 36.9 m-80 -118.4 24.94 10.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 107.706 -1.22 . . . . 72.34 107.706 166.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -72.66 146.92 46.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 114.195 -1.366 . . . . 75.03 111.635 -174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.41 151.07 13.77 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.25 -0.886 . . . . 75.54 110.602 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.45 17.09 8.1 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.181 -0.463 . . . . 75.02 111.526 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 73' ' ' PHE . 22.4 m -140.42 161.98 36.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.474 -0.565 . . . . 74.4 109.474 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 51.1 m-85 -56.0 115.94 2.7 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 110.168 -0.308 . . . . 73.35 110.168 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -80.19 10.8 4.02 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.239 0.542 . . . . 74.54 110.81 179.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p -135.78 26.34 3.35 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.754 -0.657 . . . . 71.24 110.517 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 57.9 tptt -102.13 109.63 21.38 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.891 -0.595 . . . . 73.31 111.132 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.07 116.94 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.575 -0.898 . . . . 73.32 108.575 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 t -65.75 -52.83 47.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 72.32 110.967 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -63.92 -24.31 67.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 75.22 110.845 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.506 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.8 tp -63.73 -47.47 80.93 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.292 -0.413 . . . . 63.41 110.777 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.7 -41.69 70.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.296 0.57 . . . . 74.52 109.964 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.11 -49.03 66.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.3 -0.864 . . . . 70.42 109.914 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -51.74 -42.18 62.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.96 -1.018 . . . . 73.33 111.389 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -63.06 -45.95 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 72.54 110.888 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.26 -25.44 68.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.892 0.377 . . . . 74.33 110.931 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.33 -62.2 1.52 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 75.54 110.465 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -80.83 -53.73 6.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.631 -0.713 . . . . 72.33 111.693 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.86 78.05 1.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 73.03 111.01 -173.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.02 -42.91 7.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.642 -0.708 . . . . 60.42 110.162 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -89.48 -173.81 4.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.47 -0.786 . . . . 72.03 109.512 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.12 82.38 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.443 -0.408 . . . . 70.42 113.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.1 -172.88 2.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.904 0.482 . . . . 72.45 109.943 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.92 44.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.683 0.278 . . . . 75.32 111.744 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -165.38 177.67 7.36 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.599 -0.728 . . . . 72.13 109.699 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -155.1 155.86 34.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.45 -0.341 . . . . 71.15 110.359 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 HG22 ' A' ' 50' ' ' VAL . 40.3 t -128.08 125.86 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 123.256 0.348 . . . . 70.12 111.074 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.402 HD22 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -109.48 145.87 35.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.334 -0.394 . . . . 74.54 110.668 176.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 84.0 tttt -116.59 129.14 56.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.794 -0.639 . . . . 75.33 110.415 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.598 ' NH1' ' H ' ' A' ' 19' ' ' GLU . 12.7 tpt85 -76.68 111.46 12.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.071 0.463 . . . . 72.54 111.66 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.411 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 26.1 mm -90.37 112.88 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.653 -0.869 . . . . 73.23 108.653 172.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -78.62 61.34 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 75.31 112.018 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -131.24 -69.57 0.62 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.943 -0.572 . . . . 75.32 109.765 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? 63.97 100.48 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.599 0.562 . . . . 71.33 110.434 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.54 137.87 50.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.189 0.519 . . . . 74.22 109.751 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -96.25 30.89 2.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.635 . . . . 74.53 111.051 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -55.68 87.74 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.21 -0.45 . . . . 72.32 111.684 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.11 14.95 2.96 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.762 -0.654 . . . . 71.51 111.83 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -84.58 80.71 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.85 -0.426 . . . . 74.44 109.85 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -154.05 163.74 39.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 73.44 110.353 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.649 -0.705 . . . . 71.45 109.114 178.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 2' ' ' ILE . 23.8 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.298 0.094 . . . . 74.04 111.114 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 1' ' ' MET . 39.7 pt -93.1 -10.6 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.954 0.407 . . . . 75.13 110.977 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.79 -171.09 21.41 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.353 -0.699 . . . . 61.14 111.353 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.5 mtp -124.04 17.06 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.985 -0.376 . . . . 73.14 109.985 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t 65.97 18.24 11.01 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.533 -0.758 . . . . 74.51 111.345 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.23 90.91 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.106 0.479 . . . . 52.31 110.68 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' HZ1' ' HB2' ' A' ' 104' ' ' GLU . 40.5 tptt -108.32 62.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.472 -0.936 . . . . 72.3 108.472 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -83.93 103.65 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.207 -0.906 . . . . 72.21 110.685 -171.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.29 -129.48 1.13 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.639 -0.985 . . . . 74.25 110.639 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -162.75 -63.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.049 0.425 . . . . 61.35 110.175 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -118.67 93.55 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 73.12 110.554 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -106.64 124.75 50.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 74.43 110.165 178.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm -105.03 100.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.478 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 104' ' ' GLU . 6.9 mp -90.66 110.85 22.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.83 -0.433 . . . . 72.42 109.83 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -133.11 114.02 20.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.962 0.411 . . . . 73.21 111.318 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 53.73 57.03 6.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.586 -0.734 . . . . 74.22 111.294 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 m120 66.71 2.45 2.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.541 -0.754 . . . . 62.42 112.325 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.51 108.44 19.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 73.53 109.9 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.8 119.4 31.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.92 0.39 . . . . 72.52 110.379 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.78 172.06 7.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.08 -0.711 . . . . 74.3 109.08 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' HG2' HD12 ' A' ' 100' ' ' ILE . 8.8 pt-20 -140.62 150.62 43.81 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.818 -0.438 . . . . 73.23 109.818 168.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 25' ' ' ASN . 52.8 tp -77.49 100.2 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.927 -0.579 . . . . 64.23 109.621 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' HB ' HG22 ' A' ' 75' ' ' THR . 32.7 m -90.49 -17.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 73.15 111.038 -177.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -156.7 133.44 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 63.13 110.471 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 28' ' ' ASP . 53.3 t30 -140.69 135.51 31.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.34 -0.615 . . . . 74.05 109.34 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -124.15 116.3 22.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.445 -0.205 . . . . 74.4 110.445 -173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 57.97 25.92 12.8 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.153 0.502 . . . . 74.13 110.286 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' HD22 ' A' ' 25' ' ' ASN . 3.4 m-20 51.57 44.81 28.87 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.083 -0.962 . . . . 74.53 111.108 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.91 -12.41 62.36 Favored Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.667 -0.697 . . . . 72.23 111.817 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 79.7 t80 -62.38 99.75 0.15 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.89 0.376 . . . . 75.14 111.166 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.438 ' N ' HD21 ' A' ' 31' ' ' ASN . 0.9 OUTLIER -110.24 101.6 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.58 -0.896 . . . . 73.12 108.58 170.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.31 -45.25 94.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.661 -0.245 . . . . 71.43 110.706 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.09 -36.53 68.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.198 -0.456 . . . . 74.02 111.044 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -77.0 -42.1 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.341 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.22 -57.14 13.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.938 -0.574 . . . . 62.51 110.961 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -65.34 -17.73 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.686 . . . . 71.54 110.984 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.05 -26.3 31.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 19.8 mmt180 -101.24 -8.1 22.47 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.694 0.257 . . . . 74.52 111.694 -176.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.04 140.97 57.72 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.663 -0.244 . . . . 75.41 110.85 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -141.46 163.67 32.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.017 -0.538 . . . . 72.42 109.854 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.89 -49.24 76.15 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.311 -0.404 . . . . 62.32 111.3 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 tp -51.43 -34.22 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.031 -0.532 . . . . 74.13 112.089 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 49' ' ' ILE . 81.0 mt -64.98 -27.58 68.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 75.11 111.752 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.18 -32.12 73.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.507 0.558 . . . . 72.23 112.507 -172.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -78.91 -12.12 60.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.995 0.368 . . . . 71.35 111.995 -175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.454 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 81.7 m-85 -80.85 -40.82 24.2 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.902 0.382 . . . . 72.51 110.454 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 70.3 m-20 71.36 2.96 4.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.242 -0.89 . . . . 71.13 111.751 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 65' ' ' ASP . 46.9 m-85 -132.44 114.8 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.204 -0.665 . . . . 72.5 109.204 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 43' ' ' LEU . 21.4 mm -116.2 114.0 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.694 -0.484 . . . . 73.12 109.694 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 HG22 HG11 ' A' ' 96' ' ' VAL . 62.0 t -111.95 108.42 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.289 -0.414 . . . . 74.33 109.9 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -93.99 120.23 6.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.559 -0.829 . . . . 63.33 111.427 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.4 146.52 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 72.12 110.373 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -97.44 35.74 1.59 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 73.04 109.959 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.1 133.29 42.98 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.729 -0.669 . . . . 62.15 111.991 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 74.3 t80 74.54 -59.72 0.54 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.953 0.501 . . . . 74.11 110.458 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.86 -33.18 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.215 -0.517 . . . . 63.41 112.298 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.82 137.78 32.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.306 . . . . 73.14 110.681 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.45 108.55 8.33 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.312 -0.625 . . . . 75.44 109.312 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 41.1 ttm180 -99.98 129.2 46.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 74.21 110.615 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt -94.96 103.33 15.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.76 -0.459 . . . . 72.24 109.76 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.35 122.7 40.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.752 -0.658 . . . . 75.33 109.966 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.09 140.93 15.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.192 -0.528 . . . . 73.1 111.817 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -131.04 163.47 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 73.44 111.231 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -104.5 138.24 41.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.67 -0.863 . . . . 72.52 108.67 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 44.1 t0 -68.78 144.5 54.32 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.209 0.318 . . . . 74.35 111.003 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -148.42 179.13 8.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 110.145 -0.317 . . . . 72.2 110.145 -179.277 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 21.7 mt-30 74.21 -3.24 2.59 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.611 0.764 . . . . 72.33 111.492 -173.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.17 92.6 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.708 0.29 . . . . 64.42 111.212 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -126.52 -71.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.419 -0.585 . . . . 75.54 109.419 172.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -129.0 27.01 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.056 -0.72 . . . . 73.32 109.056 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.65 136.03 56.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.006 -0.997 . . . . 75.32 112.136 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 t -95.87 21.34 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.54 0.686 . . . . 75.11 109.379 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 76' ' ' LYS . 32.7 p90 -146.45 158.97 43.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.96 -1.018 . . . . 74.14 109.624 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.767 ' HB2' ' HZ2' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -138.12 16.15 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 73.03 110.297 177.197 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.487 HG22 ' HB ' ' A' ' 23' ' ' VAL . 23.2 p -118.86 19.52 13.06 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.758 -0.655 . . . . 72.33 111.011 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 56.9 tptt -136.05 117.85 15.11 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.349 -0.387 . . . . 75.21 110.499 -176.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.64 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 75.5 109.194 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 t -67.97 -49.55 61.02 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.568 0.223 . . . . 75.13 110.859 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.2 t -60.93 -27.87 68.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.202 0.525 . . . . 64.12 110.241 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.3 tp -77.61 -41.13 39.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.954 -0.566 . . . . 71.05 110.309 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.27 -38.7 71.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.644 -0.707 . . . . 64.44 110.285 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.04 -40.38 60.43 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.785 -0.643 . . . . 64.54 110.538 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.39 -41.89 85.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.755 -0.657 . . . . 74.34 111.352 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.57 -38.03 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 74.35 110.706 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -61.99 -26.45 68.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.767 -0.651 . . . . 75.33 110.759 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.85 -43.02 89.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 74.33 111.65 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -100.06 -47.39 5.01 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.989 0.423 . . . . 75.33 111.885 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.453 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 33.9 t -76.65 85.5 3.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.303 0.573 . . . . 61.11 111.818 -168.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -92.43 -57.47 2.68 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.881 -0.785 . . . . 74.22 108.881 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -164.1 143.98 8.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.344 -0.844 . . . . 73.35 109.345 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.94 79.89 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.495 -0.642 . . . . 64.43 111.495 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -84.79 161.55 19.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 72.5 111.204 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.59 142.73 15.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.633 -0.712 . . . . 64.15 109.554 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -165.38 175.46 9.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.678 0.275 . . . . 71.05 110.584 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 36.7 p90 -151.93 144.91 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 75.11 110.54 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.466 HG11 HG22 ' A' ' 50' ' ' VAL . 42.7 t -121.19 117.4 52.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 116.589 -0.278 . . . . 65.11 110.768 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.1 128.38 53.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.237 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.767 ' HZ2' ' HB2' ' A' ' 74' ' ' GLU . 72.4 tttt -108.59 138.18 45.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.403 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.6 135.26 51.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 74.21 110.854 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.521 HD12 ' HG2' ' A' ' 21' ' ' GLU . 31.7 mm -105.29 140.82 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.895 -0.78 . . . . 71.44 108.895 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 102' ' ' LYS . 93.1 mtt180 -81.25 72.05 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 74.53 112.117 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.627 ' HB3' ' HZ2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER 173.31 179.76 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.939 -1.028 . . . . 74.21 108.664 168.552 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -144.34 116.75 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.173 -1.047 . . . . 74.15 108.173 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.598 ' HB2' ' HZ1' ' A' ' 7' ' ' LYS . 43.3 tt0 -60.4 85.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.216 0.532 . . . . 72.44 110.67 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -69.45 88.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.401 -0.818 . . . . 62.44 109.878 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -58.27 -44.34 88.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 71.41 110.628 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -142.18 95.01 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 75.14 110.121 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -73.55 100.31 3.26 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.92 -0.77 . . . . 75.41 108.92 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -52.94 99.2 0.02 OUTLIER 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.41 -0.814 . . . . 74.32 110.964 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.466 -0.778 . . . . 74.21 109.976 -179.479 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 121.102 0.477 . . . . 71.22 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -140.92 150.19 20.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.066 -0.515 . . . . 64.54 109.95 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.21 -152.12 27.76 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 111.885 -0.486 . . . . 72.1 111.885 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.38 142.33 23.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.688 0.28 . . . . 72.45 110.481 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -88.19 -58.75 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.148 0.499 . . . . 72.3 110.601 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 5.0 pt-20 -150.89 -50.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 73.33 110.935 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' HZ3' ' HB3' ' A' ' 7' ' ' LYS . 4.0 ttpm? 63.08 22.13 13.26 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.742 -0.663 . . . . 74.33 110.649 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HG3' ' HB2' ' A' ' 6' ' ' GLU . 78.8 mtm180 -71.43 -58.96 3.04 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.869 -0.419 . . . . 70.14 109.869 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.38 -147.44 47.27 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.66 -0.7 . . . . 64.43 111.564 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HG2' HG13 ' A' ' 11' ' ' ILE . 39.2 tt0 -140.44 -53.29 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.103 0.451 . . . . 74.15 110.47 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.4 mt -131.08 101.25 5.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.07 0.462 . . . . 74.03 110.192 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.61 115.62 30.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.434 -0.803 . . . . 73.41 110.166 -178.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 HG13 HD21 ' A' ' 97' ' ' LEU . 36.4 mm -104.35 107.56 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.755 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.36 116.78 29.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.898 -0.408 . . . . 72.32 109.898 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.5 tt -150.41 144.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 74.43 111.23 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.583 ' HG2' HG12 ' A' ' 15' ' ' ILE . 30.3 mm-40 51.16 36.93 16.94 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.119 0.568 . . . . 74.51 111.925 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 62.0 38.61 14.05 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.811 -0.631 . . . . 73.05 111.059 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.01 137.44 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.774 -0.648 . . . . 73.43 109.36 173.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.03 127.63 50.21 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.879 0.371 . . . . 60.31 110.247 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -119.63 162.68 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 72.23 109.646 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -135.84 146.1 47.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.911 -0.403 . . . . 74.44 109.911 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD21 HD11 ' A' ' 11' ' ' ILE . 61.6 tp -74.17 111.49 9.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.869 -0.419 . . . . 74.2 109.869 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.56 -9.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 73.15 111.726 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -168.47 137.52 2.31 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.289 -0.164 . . . . 74.03 111.155 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.416 HD21 ' HB3' ' A' ' 95' ' ' PHE . 24.0 t-20 -144.16 153.08 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 62.55 110.456 176.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 17.6 t80 -136.12 133.51 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.22 109.905 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 10.8 mmpt? 58.41 26.28 13.93 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.753 0.658 . . . . 75.31 111.585 175.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 61.4 27.8 17.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.09 -0.505 . . . . 54.11 110.983 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.61 3.95 5.76 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 116.168 -0.469 . . . . 75.33 113.921 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -83.26 112.13 19.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.459 0.63 . . . . 71.32 110.431 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 33' ' ' GLU . 3.7 t-20 -130.38 98.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.822 -0.807 . . . . 73.34 108.822 177.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 23.1 tt0 -54.9 -45.24 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.336 -0.393 . . . . 62.13 111.373 -172.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' ' ND2' ' A' ' 31' ' ' ASN . 13.0 pt-20 -55.2 -37.07 66.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.503 -0.317 . . . . 63.44 110.901 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -74.93 -45.69 40.83 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.266 -0.425 . . . . 75.3 110.18 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.62 -55.77 22.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 73.13 110.702 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.1 ptmt -68.62 -18.98 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 74.34 111.271 -175.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.07 -35.68 49.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 75.34 110.887 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 32.5 mmt180 -95.7 -19.48 19.66 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.143 -0.481 . . . . 74.03 111.113 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -67.13 147.41 53.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.449 -0.341 . . . . 73.53 110.905 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.44 ' HB3' HG23 ' A' ' 42' ' ' ILE . 46.4 t -148.1 168.51 22.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.049 -0.523 . . . . 71.32 110.185 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.6 -24.93 66.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 72.4 110.504 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 40' ' ' SER . 9.4 tp -61.35 -25.7 37.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 115.811 -0.631 . . . . 72.41 110.952 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -93.36 -12.17 30.56 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.92 -0.582 . . . . 71.42 111.545 -174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -64.52 -21.74 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.399 -0.364 . . . . 74.13 111.75 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -80.16 -12.88 59.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.294 0.479 . . . . 74.33 112.294 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -78.93 -34.57 44.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.934 0.346 . . . . 72.32 111.934 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 67.78 0.63 2.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.889 0.476 . . . . 73.14 111.365 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 40.3 m-85 -144.62 115.96 8.02 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.903 0.481 . . . . 74.22 109.777 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.9 mm -119.62 119.11 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.942 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.12 123.79 68.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.347 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -119.13 128.83 7.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.218 -0.515 . . . . 71.05 111.851 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . 10.0 t70 -126.54 146.14 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 73.31 109.713 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -85.27 -36.21 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 71.11 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.35 -82.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.579 0 C-N-CA 121.206 -0.521 . . . . 60.43 111.904 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -127.54 26.04 5.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.19 0.519 . . . . 74.24 109.927 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.78 2.04 46.15 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.796 -0.638 . . . . 75.21 111.966 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -92.04 76.14 5.46 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.624 -0.51 . . . . 75.13 109.624 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.54 97.44 0.59 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.305 0.574 . . . . 75.23 110.061 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -116.7 147.46 41.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 74.14 109.799 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.8 135.15 43.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.006 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -122.33 123.96 42.61 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.002 -0.74 . . . . 72.02 109.002 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.86 140.58 17.19 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.135 -0.555 . . . . 73.2 112.429 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.2 m-85 -139.53 163.31 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.675 -0.491 . . . . 73.31 109.675 176.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.95 159.61 18.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.464 -0.939 . . . . 75.43 108.464 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.83 108.29 1.42 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.408 0.623 . . . . 72.33 110.237 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 5.3 t70 -69.49 -56.61 6.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.837 . . . . 73.12 111.383 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -73.51 71.53 1.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.643 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -82.52 69.61 9.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.622 -0.881 . . . . 72.24 108.622 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -167.8 171.3 10.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.116 -0.947 . . . . 74.24 109.734 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -75.47 92.34 2.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.465 0.65 . . . . 75.14 111.635 -172.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.16 144.91 51.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.054 -0.976 . . . . 75.13 109.171 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.0 m -62.69 -13.3 30.68 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.269 0.557 . . . . 65.12 111.235 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 76' ' ' LYS . 2.0 p90 -142.68 87.03 1.97 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.4 0.619 . . . . 75.42 110.561 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.71 -37.29 85.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.191 -0.913 . . . . 73.33 111.044 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p -64.58 -2.77 2.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.462 0.912 . . . . 70.41 113.462 -170.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HB2' ' HD2' ' A' ' 73' ' ' PHE . 26.0 tptp -78.94 70.14 5.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.532 0.682 . . . . 73.32 109.635 177.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 66.6 mt -71.69 113.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 74.44 110.888 -176.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -53.85 -56.65 15.7 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.47 -0.332 . . . . 74.44 111.854 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -56.6 -25.95 54.23 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.864 0.364 . . . . 72.22 111.127 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 26.0 tp -77.14 -42.18 38.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.204 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.24 -42.05 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.204 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.89 -42.04 98.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.417 -0.81 . . . . 53.01 110.214 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -49.48 77.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.879 -0.6 . . . . 62.04 110.079 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -58.33 -38.11 67.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.709 . . . . 74.55 110.556 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.13 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 74.15 111.072 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.76 -59.77 2.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.98 0.419 . . . . 75.02 111.207 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.22 -49.7 7.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 75.52 111.841 -170.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 48.9 t -80.06 74.21 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.307 0.575 . . . . 75.31 110.327 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -83.13 -53.75 5.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 74.44 110.163 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -164.25 148.16 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.671 -0.695 . . . . 75.2 109.299 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.19 71.45 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.942 -0.647 . . . . 71.25 112.401 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -92.09 163.93 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.548 0.339 . . . . 75.43 110.12 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -154.92 99.14 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.021 -0.363 . . . . 75.02 110.021 -176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 51.6 p90 -118.81 163.13 17.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.068 0.461 . . . . 73.41 111.196 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.416 ' HB3' HD21 ' A' ' 25' ' ' ASN . 51.5 p90 -142.01 146.15 35.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.623 -0.717 . . . . 75.03 109.859 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.12 117.9 55.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.648 0.261 . . . . 74.45 110.456 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.48 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -103.84 132.27 50.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 72.25 110.282 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -107.43 128.74 54.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.428 -0.582 . . . . 73.13 109.428 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -78.64 126.74 31.16 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.338 -0.616 . . . . 72.3 109.338 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.06 -57.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.84 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG2' ' HG3' ' A' ' 102' ' ' LYS . 36.2 ttp-105 176.49 -53.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 74.25 109.62 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 101' ' ' ARG . 68.1 mttm -142.25 -167.46 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.342 -0.845 . . . . 73.42 109.536 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -128.1 116.38 19.89 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.511 -0.922 . . . . 64.42 108.511 174.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -67.38 86.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.562 0.696 . . . . 74.14 110.348 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -88.94 50.88 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.23 -0.896 . . . . 70.24 109.031 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.74 -76.24 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.136 -0.938 . . . . 74.44 110.818 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -157.28 103.81 2.01 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.679 -0.489 . . . . 75.03 109.679 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.405 ' C ' ' H ' ' A' ' 110' ' ' HIS . 11.2 t-160 -92.23 85.48 5.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 62.25 110.138 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 t60 74.34 -35.04 0.29 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.025 0.93 . . . . 74.22 111.629 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 108' ' ' HIS . 53.0 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.719 -0.657 . . . . 72.51 109.965 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.56 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.168 -0.308 . . . . 74.32 110.168 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' N ' HD13 ' A' ' 2' ' ' ILE . 2.9 mp -93.62 86.4 2.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 109.545 -0.539 . . . . 75.35 109.545 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.51 -28.71 12.17 Favored Glycine 0 C--N 1.33 0.244 0 CA-C-N 115.986 -0.552 . . . . 62.25 111.86 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 ttt -132.56 120.91 22.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.728 -0.471 . . . . 71.12 109.728 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -78.46 -173.03 3.15 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.131 0.491 . . . . 64.24 110.627 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -84.47 131.9 34.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 75.13 110.625 -174.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -94.73 21.39 7.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 73.34 110.073 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 65.1 23.57 12.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.315 -0.857 . . . . 74.4 110.548 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.52 150.02 6.72 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 114.948 -1.024 . . . . 74.31 110.549 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.39 -63.95 1.0 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.272 0.536 . . . . 74.53 110.016 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -136.54 87.65 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.749 -0.659 . . . . 73.31 109.47 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -84.4 122.44 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.346 -0.843 . . . . 74.41 110.167 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.506 HG13 HD21 ' A' ' 97' ' ' LEU . 36.1 mm -106.96 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.335 -0.393 . . . . 74.2 110.093 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 14' ' ' LEU . 7.1 mp -91.67 112.52 24.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.009 -0.367 . . . . 75.44 110.009 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.8 tt -143.97 139.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 73.54 110.063 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.536 ' HG2' HG12 ' A' ' 15' ' ' ILE . 29.1 mm-40 57.14 29.09 16.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.396 -0.365 . . . . 74.12 111.063 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 62.29 32.62 16.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.442 0.639 . . . . 74.43 110.918 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HA ' HD22 ' A' ' 103' ' ' LEU . . . -130.67 126.63 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.284 -0.871 . . . . 64.32 108.854 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HB2' HD12 ' A' ' 103' ' ' LEU . 34.3 tt0 -90.83 130.48 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 64.43 110.092 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -121.72 171.64 8.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 100' ' ' ILE . 8.1 pt-20 -145.25 147.81 32.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.881 0.372 . . . . 74.3 110.161 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.02 108.2 5.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 74.51 109.39 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.09 -25.48 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.107 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 20.0 t60 -147.84 132.86 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.617 -0.512 . . . . 72.34 109.617 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' ' 28' ' ' ASP . 45.0 t30 -142.09 143.61 33.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.667 -0.494 . . . . 74.31 109.667 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.504 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 43.0 t80 -131.95 118.43 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 74.0 110.596 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 18.2 ttmm 64.69 23.69 12.81 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.154 -0.93 . . . . 73.33 110.652 172.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' HA ' HD22 ' A' ' 25' ' ' ASN . 35.1 m-20 61.73 29.39 18.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.237 -0.892 . . . . 71.53 110.657 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.65 -11.86 60.77 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.796 -0.638 . . . . 64.12 112.328 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.3 120.85 13.52 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.037 0.446 . . . . 73.34 111.154 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.671 HD22 ' HZ2' ' A' ' 53' ' ' TRP . 3.3 p30 -147.91 103.38 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 75.43 110.349 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 35' ' ' PHE . 35.0 tt0 -55.13 -37.61 67.14 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.817 -0.629 . . . . 70.15 110.911 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.01 -46.24 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.897 -0.592 . . . . 73.14 111.633 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.61 -37.95 41.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 63.34 110.418 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . 57.8 t80 -52.88 -61.41 2.31 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.151 -0.931 . . . . 75.22 111.194 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.1 ptmm? -64.8 -30.92 71.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.882 -0.599 . . . . 73.41 111.026 -175.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.6 68.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.289 -0.414 . . . . 62.32 111.337 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 mmp_? -115.29 6.79 15.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.599 -0.273 . . . . 73.31 111.265 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -68.66 133.58 48.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.914 0.387 . . . . 74.2 110.936 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 t -123.01 149.75 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 75.24 109.882 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.98 -34.29 77.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.01 -0.541 . . . . 71.12 111.459 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 tp -56.32 -34.63 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.166 0.507 . . . . 74.44 110.677 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HB3' HD11 ' A' ' 49' ' ' ILE . 77.9 mt -69.05 -32.67 72.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.775 -0.648 . . . . 72.12 111.11 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.02 -33.19 68.69 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.887 -0.597 . . . . 74.21 111.252 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 5.4 tmmm? -70.65 -22.65 62.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.654 -0.703 . . . . 73.41 111.62 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.2 m-85 -76.1 -22.16 55.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.581 0.229 . . . . 74.44 111.478 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 46.8 m-20 71.01 1.23 3.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.121 0.568 . . . . 74.45 111.631 -177.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' OH ' ' NZ ' ' A' ' 98' ' ' LYS . 26.0 m-85 -139.4 118.29 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 71.5 110.222 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 43' ' ' LEU . 14.9 mm -110.82 113.88 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.386 -0.598 . . . . 74.42 109.386 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.08 113.93 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.878 -0.416 . . . . 73.42 109.878 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.71 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.973 -0.851 . . . . 73.13 110.973 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.98 154.6 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 73.3 110.227 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.671 ' HZ2' HD22 ' A' ' 31' ' ' ASN . 80.4 m95 -105.02 4.09 31.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.606 . . . . 74.5 110.169 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.99 -21.5 65.48 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.456 -0.402 . . . . 53.4 112.386 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.03 -13.02 43.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.665 0.386 . . . . 75.44 110.612 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.08 -46.42 1.17 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.635 -0.986 . . . . 51.1 110.635 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -115.99 171.49 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.894 -0.78 . . . . 65.2 108.894 172.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.66 101.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.245 -0.65 . . . . 65.22 109.245 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -111.4 137.99 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.864 -0.607 . . . . 74.42 110.812 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.56 133.1 49.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.117 -0.697 . . . . 74.23 109.117 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 4.4 tmtm? -127.42 132.62 50.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.698 -0.852 . . . . 73.51 108.698 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -98.38 131.75 10.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.289 -0.481 . . . . 74.51 112.157 -178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.543 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.4 m-85 -123.5 166.55 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.394 -0.595 . . . . 74.42 109.394 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.8 154.02 19.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.843 -0.428 . . . . 73.33 109.843 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.76 108.63 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.611 0.57 . . . . 54.24 109.603 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 16.5 t70 -92.08 -77.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.562 -0.745 . . . . 74.04 110.725 -170.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -89.38 81.17 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 74.33 109.839 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -82.2 -13.64 56.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.402 -0.817 . . . . 74.32 109.597 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.25 87.5 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.047 -0.978 . . . . 74.33 110.356 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' HB3' ' A' ' 74' ' ' GLU . 6.6 tmtm? -68.78 88.9 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 75.1 109.959 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.88 -86.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 63.21 109.527 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -107.15 -1.52 21.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.463 0.649 . . . . 73.14 109.455 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 53.6 p90 -149.94 174.52 12.6 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.074 -0.967 . . . . 54.44 108.94 178.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.584 ' HB3' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -148.91 -37.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 72.43 110.807 179.069 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 p -94.76 72.64 3.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.377 0.608 . . . . 64.3 111.077 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -140.44 138.14 34.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.593 -0.731 . . . . 73.44 109.525 176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.547 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 63.2 mt -125.73 116.32 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.624 -0.51 . . . . 64.22 109.624 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.1 t -57.23 -52.57 64.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 73.53 111.097 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -62.14 -22.96 66.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 71.33 110.926 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' O ' HG12 ' A' ' 84' ' ' ILE . 55.3 tp -74.74 -41.05 60.84 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.542 -0.299 . . . . 72.41 110.214 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.05 -36.64 65.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.506 0.67 . . . . 71.01 109.642 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.32 -40.46 44.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.205 -0.907 . . . . 64.24 110.293 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.01 -42.68 69.35 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.388 -0.823 . . . . 74.15 110.946 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 80' ' ' LEU . 48.5 mm -58.11 -42.75 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.929 -0.578 . . . . 65.14 110.807 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -62.51 -41.36 98.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.897 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.17 -42.59 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 61.35 111.165 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -97.18 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 65.54 112.292 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.2 t -74.23 -17.35 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 75.33 110.9 -173.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 47.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.059 0.763 . . . . 65.44 113.059 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.8 -10.77 59.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.876 0.37 . . . . 64.34 111.432 -169.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.06 55.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.413 -0.675 . . . . 75.51 111.413 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.749 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 22.5 p -62.84 -79.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.852 0.461 . . . . 73.34 111.35 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -179.48 142.23 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.888 -0.412 . . . . 73.42 109.888 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -167.3 168.22 13.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.374 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -147.58 148.65 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 72.41 110.252 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 48.6 t -125.88 123.44 64.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.83 0.348 . . . . 65.14 110.561 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.506 HD21 HG13 ' A' ' 13' ' ' ILE . 10.8 mp -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 73.23 110.119 176.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.409 ' NZ ' ' OH ' ' A' ' 48' ' ' TYR . 56.4 tttp -107.73 139.32 42.47 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.914 -0.402 . . . . 73.53 109.914 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 100' ' ' ILE . 3.6 tmm_? -75.48 120.24 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.334 -0.617 . . . . 71.12 109.334 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' HG2' ' A' ' 21' ' ' GLU . 41.4 mm -71.28 150.02 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 72.22 110.901 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -41.47 -40.54 1.82 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 73.41 111.778 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -174.69 -178.35 1.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.925 -0.58 . . . . 72.54 109.488 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 19' ' ' GLU . 3.7 mm? -78.52 59.29 2.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.942 0.401 . . . . 74.43 110.644 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -173.18 150.59 1.95 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.135 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.06 167.42 16.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.455 -0.339 . . . . 73.1 110.668 -176.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.7 t60 66.03 67.55 0.47 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.918 0.761 . . . . 74.0 109.425 -174.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -69.47 133.48 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.052 -0.976 . . . . 70.3 111.812 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -93.3 10.15 33.27 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 73.22 109.766 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -77.59 42.28 0.36 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.357 -0.838 . . . . 75.34 109.664 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 124.243 1.017 . . . . 54.15 112.617 -173.629 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.376 0.131 . . . . 74.05 111.266 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.34 146.46 11.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 110.229 -0.286 . . . . 73.34 110.229 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.52 76.42 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.56 -0.616 . . . . 45.3 111.56 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.475 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.6 mpp? -76.37 68.81 2.78 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.461 0.648 . . . . 71.31 109.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -154.09 161.6 41.79 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.804 -1.089 . . . . 73.43 108.717 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.58 -175.83 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.646 0.26 . . . . 71.2 110.847 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' HG2' HG21 ' A' ' 100' ' ' ILE . 51.8 tptt -167.15 141.99 3.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.077 -0.511 . . . . 72.11 109.934 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -142.4 162.58 35.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 75.4 110.549 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.5 178.05 28.19 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.031 -0.827 . . . . 43.04 111.031 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.72 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 74.25 109.858 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 HD11 HD23 ' A' ' 22' ' ' LEU . 64.9 mt -128.01 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 73.21 109.498 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -90.13 119.83 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.577 -0.738 . . . . 64.41 110.661 -177.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -107.54 105.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 71.52 110.029 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.18 120.79 41.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.114 -0.328 . . . . 73.51 110.114 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG12 ' HG2' ' A' ' 16' ' ' GLN . 14.2 tt -147.43 142.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 74.42 110.107 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.3 mm100 56.51 24.39 8.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.645 0.378 . . . . 73.34 111.055 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.571 ' O ' HD21 ' A' ' 103' ' ' LEU . 20.3 m120 62.09 52.12 3.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.784 0.802 . . . . 75.31 109.957 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB2' HD22 ' A' ' 44' ' ' ASN . . . -138.94 117.96 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -1.218 . . . . 64.15 108.513 171.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 67.1 tt0 -90.77 114.72 27.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.44 -0.345 . . . . 71.53 110.842 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.52 171.2 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 75.21 109.702 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -142.31 150.59 41.01 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.974 -0.38 . . . . 74.23 109.974 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 11' ' ' ILE . 59.0 tp -77.66 109.3 11.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.604 -0.517 . . . . 74.55 109.604 176.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.03 -20.13 5.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.659 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.4 t60 -150.75 132.67 15.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.689 0.28 . . . . 75.43 110.737 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -132.95 146.44 51.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.756 -0.831 . . . . 74.23 108.756 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.55 114.86 11.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.514 -0.55 . . . . 72.25 109.514 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 60.18 28.19 17.74 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.475 0.484 . . . . 64.41 110.992 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 58.69 34.63 23.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.796 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -13.86 64.31 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.382 -0.826 . . . . 75.41 112.542 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.15 119.87 10.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.872 0.368 . . . . 74.34 110.541 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -138.2 107.79 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.989 -0.745 . . . . 71.04 108.989 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -69.19 -47.23 65.45 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.338 0.399 . . . . 74.14 111.651 -171.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.11 -44.64 96.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.617 0.246 . . . . 73.13 110.716 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.3 66.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 74.12 110.677 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.14 -60.65 3.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 74.34 110.401 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -69.18 -20.24 64.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 73.53 110.947 -175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.72 -29.14 62.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.4 . . . . 74.11 110.732 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -101.17 -9.99 20.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.263 -0.426 . . . . 74.3 111.395 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' HH ' ' HB2' ' A' ' 44' ' ' ASN . 68.6 t80 -66.44 124.8 23.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 73.42 111.066 -177.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -119.68 152.6 36.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 72.42 109.119 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.853 0.316 . . . . 64.52 111.853 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 tp -57.76 -31.06 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.995 0.426 . . . . 71.32 111.145 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.6 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 86.8 mt -76.58 -15.63 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.314 -176.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.582 ' HB2' ' HH ' ' A' ' 39' ' ' TYR . 28.5 t-20 -68.17 -22.84 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.85 -175.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 19.1 ptpt -87.02 -4.4 59.17 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.706 0.261 . . . . 74.24 111.706 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 79.6 m-85 -88.31 -39.1 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.688 0.28 . . . . 74.54 110.755 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 73.01 1.69 4.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.666 -0.697 . . . . 63.22 111.627 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -136.56 115.88 12.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 74.3 109.062 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.504 HD13 ' HB3' ' A' ' 43' ' ' LEU . 15.5 mm -115.35 121.27 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 74.51 110.293 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.22 120.67 59.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.134 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.17 121.7 6.98 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.831 -0.699 . . . . 65.13 111.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -109.73 135.81 50.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.894 0.378 . . . . 71.44 110.592 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.68 34.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.971 0.415 . . . . 74.32 110.302 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.74 91.95 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.741 -0.663 . . . . 72.34 113.419 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -129.43 83.5 2.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.176 0.488 . . . . 73.22 110.761 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.92 -91.76 0.05 OUTLIER Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.714 -0.675 . . . . 73.13 113.079 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -78.42 140.41 38.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.298 -0.63 . . . . 74.53 109.298 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.44 133.52 55.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.509 0.671 . . . . 73.14 110.856 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -94.38 129.32 41.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.996 -1.002 . . . . 65.32 108.352 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 39' ' ' TYR . 11.6 tp -101.43 109.43 21.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 75.32 110.191 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -105.73 158.73 16.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.341 -0.845 . . . . 73.22 109.715 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.84 146.37 16.92 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.665 -0.574 . . . . 63.22 111.665 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.73 167.07 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.787 -0.449 . . . . 74.52 109.787 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -105.51 170.06 8.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.335 . . . . 75.03 110.382 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.71 132.32 51.68 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.31 -0.405 . . . . 73.24 110.471 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.538 ' HB3' HG23 ' A' ' 77' ' ' ILE . 35.3 t70 -147.01 176.95 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.378 -0.601 . . . . 64.22 109.378 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 67.39 19.37 10.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.612 0.72 . . . . 71.42 109.466 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -78.98 -16.08 57.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.963 -174.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.0 -47.39 68.66 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.209 -0.663 . . . . 72.53 109.209 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HD3' ' HE2' ' A' ' 73' ' ' PHE . 51.4 tttp -100.79 73.67 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.562 -0.903 . . . . 71.41 108.562 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 86.08 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.177 -0.92 . . . . 64.43 111.739 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.3 m -157.4 -33.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.281 -0.872 . . . . 73.11 109.385 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' HB3' ' HB2' ' A' ' 76' ' ' LYS . 99.1 m-85 -79.05 71.94 5.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.76 -0.655 . . . . 75.32 110.567 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' HG3' ' HE2' ' A' ' 98' ' ' LYS . 9.8 tp10 -66.11 -22.87 66.41 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.928 -0.578 . . . . 71.42 111.643 -177.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -126.81 21.77 6.91 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.913 0.387 . . . . 72.31 111.906 -173.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HB2' ' HB3' ' A' ' 73' ' ' PHE . 35.3 mmtm -132.12 148.36 52.48 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.567 -0.288 . . . . 75.41 110.578 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 66' ' ' ASP . 74.6 mt -141.23 131.5 26.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.698 -0.482 . . . . 73.54 109.698 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -63.27 -57.28 10.96 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.562 -0.29 . . . . 72.31 111.158 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -58.08 -24.82 60.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.011 0.434 . . . . 61.4 110.986 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 ' O ' HG12 ' A' ' 84' ' ' ILE . 30.5 tp -70.88 -49.52 45.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.081 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.83 -39.12 65.28 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.012 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.61 -47.91 74.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.34 -0.846 . . . . 75.25 110.713 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -60.29 -36.25 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.692 -0.685 . . . . 74.14 110.949 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -63.73 -41.44 92.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.493 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.96 -27.23 63.24 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.365 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -77.1 -16.8 59.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.326 . . . . 71.35 111.347 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -132.76 -76.37 0.49 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.136 0.421 . . . . 72.33 112.136 -174.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.831 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 85.3 m -87.03 97.96 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 74.24 112.145 -171.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.56 -35.67 3.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.715 -0.675 . . . . 72.4 109.605 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -139.08 115.26 10.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.385 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.67 -42.86 2.29 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.534 -0.365 . . . . 70.43 113.031 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.831 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 51.5 t -56.1 129.77 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.153 0.581 . . . . 71.15 110.307 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 162.84 15.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 54.4 110.961 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -163.98 176.36 9.46 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.401 -0.363 . . . . 75.45 110.671 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.7 151.87 34.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.483 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 61.7 t -127.22 122.84 60.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 120.71 0.291 . . . . 74.4 111.126 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.66 135.49 48.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.956 -0.565 . . . . 75.45 110.432 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HE2' ' HG3' ' A' ' 74' ' ' GLU . 55.9 tttp -109.49 141.45 41.92 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.273 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 37.8 tpt85 -75.93 128.37 34.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 72.4 111.087 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.644 HG23 ' H ' ' A' ' 102' ' ' LYS . 45.8 mm -78.34 154.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 73.03 109.857 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.67 -7.2 53.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.95 0.405 . . . . 74.44 111.107 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.644 ' H ' HG23 ' A' ' 100' ' ' ILE . 1.7 mmpt? -106.02 -167.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.312 0.577 . . . . 74.14 111.308 -177.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.571 HD21 ' O ' ' A' ' 17' ' ' ASN . 2.4 tm? -158.3 -55.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.646 -1.242 . . . . 75.31 107.646 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.9 123.14 39.36 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.761 -1.199 . . . . 71.51 107.761 170.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -144.65 133.6 22.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.306 -0.406 . . . . 62.14 110.152 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -149.56 135.05 18.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.723 -0.671 . . . . 73.43 109.315 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -69.37 126.24 29.15 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.587 -0.523 . . . . 74.51 109.587 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -66.51 -30.62 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 65.21 111.303 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.62 167.18 9.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.921 -0.4 . . . . 65.02 109.921 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.208 -0.901 . . . . 71.11 109.75 174.011 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' C ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.284 -0.265 . . . . 62.24 110.284 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.8 pt -75.03 77.79 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.767 0.794 . . . . 73.45 110.989 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.8 -127.52 1.82 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.298 -0.865 . . . . 65.33 111.522 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.4 mtt 64.74 14.26 8.99 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.949 0.5 . . . . 73.44 111.492 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -77.28 74.37 3.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.413 0.625 . . . . 71.33 109.808 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.5 110.88 3.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.09 -0.959 . . . . 75.4 110.952 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 61.6 tttp -143.84 127.35 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.404 -0.816 . . . . 74.31 109.889 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.497 ' NH1' ' HA ' ' A' ' 10' ' ' GLU . 7.3 tmm_? -93.0 -38.66 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.87 -0.419 . . . . 74.23 109.87 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.77 103.48 0.71 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.084 -0.806 . . . . 64.52 111.084 -177.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.497 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 13.4 tp10 -62.27 -63.51 1.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.887 0.375 . . . . 73.41 110.455 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 HD11 HD21 ' A' ' 22' ' ' LEU . 63.7 mt -135.44 86.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.196 -0.668 . . . . 71.34 109.196 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.12 132.13 36.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.353 -0.84 . . . . 74.42 110.729 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 HD22 ' A' ' 97' ' ' LEU . 29.8 mm -120.2 98.98 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 74.11 109.222 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -100.94 111.87 24.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.238 -0.437 . . . . 73.54 109.915 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.1 tt -141.21 130.04 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.331 -0.395 . . . . 75.23 110.876 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.572 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.3 mm-40 54.42 44.3 29.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.102 -0.499 . . . . 64.13 111.579 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 65.98 18.92 11.18 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.011 -0.54 . . . . 72.21 111.783 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.38 122.49 46.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.024 -0.362 . . . . 75.32 110.024 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.98 113.53 27.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 74.53 110.881 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.48 172.47 7.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.761 -0.654 . . . . 71.24 109.482 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 7.6 pt-20 -148.58 152.78 37.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.018 -0.364 . . . . 71.41 110.018 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 11' ' ' ILE . 60.7 tp -75.69 106.71 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 64.35 110.247 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.0 -17.69 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.4 -0.364 . . . . 75.3 111.395 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -158.85 133.74 8.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.601 -0.272 . . . . 72.24 110.838 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -131.98 151.22 51.86 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.366 -0.605 . . . . 60.3 109.366 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -137.86 121.7 17.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.207 -0.664 . . . . 75.2 109.207 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 11.4 ttmm 61.02 24.12 14.24 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.842 0.714 . . . . 74.23 110.409 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 t70 58.04 34.97 24.8 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.012 -0.994 . . . . 71.33 110.438 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.82 -13.67 61.79 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.687 -0.688 . . . . 75.45 112.679 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -64.6 120.3 12.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 73.21 111.23 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -138.62 104.47 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.964 -0.754 . . . . 74.34 108.964 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.75 -48.21 59.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.303 0.377 . . . . 73.12 110.899 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -57.14 -40.91 78.12 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.886 -0.597 . . . . 74.2 111.122 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.64 68.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.412 -0.358 . . . . 64.31 110.459 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.86 -56.87 16.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 73.45 110.52 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.66 -19.41 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 75.13 111.159 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.24 52.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 74.13 110.604 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 11.8 mmp_? -94.24 -8.29 39.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.22 -0.445 . . . . 74.22 111.238 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -64.21 150.9 44.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.247 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -153.18 165.0 37.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.124 -0.489 . . . . 64.31 109.825 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.78 -35.11 79.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.445 -0.343 . . . . 74.43 111.571 -174.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.1 tp -54.19 -33.28 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.024 0.44 . . . . 74.43 111.088 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 94.8 mt -65.96 -20.38 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.128 -0.487 . . . . 75.25 111.701 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.56 -25.39 68.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.363 -0.381 . . . . 74.31 111.749 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -75.19 -12.89 60.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.668 0.271 . . . . 74.12 111.301 -176.4 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -91.18 -47.3 7.6 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.431 -0.349 . . . . 73.45 110.345 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 71.09 1.47 3.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.396 -0.82 . . . . 72.51 111.316 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -134.43 114.51 12.97 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.827 -0.805 . . . . 73.32 108.827 173.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 29.2 mm -118.2 119.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.09 -0.337 . . . . 72.34 110.09 -176.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 45.9 t -117.19 107.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.271 -0.422 . . . . 63.34 110.286 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -89.7 121.62 6.19 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.232 -0.747 . . . . 74.52 111.232 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.72 159.07 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 73.43 111.052 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.436 ' HB2' ' HB1' ' A' ' 93' ' ' ALA . 70.7 m95 -123.49 30.98 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.059 -0.973 . . . . 75.32 108.756 175.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.15 -54.24 2.05 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.545 -0.752 . . . . 43.34 114.642 -170.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -124.05 37.6 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.043 0.449 . . . . 72.02 110.728 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.72 21.59 63.51 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.976 -0.556 . . . . 55.44 111.931 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -120.95 114.52 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.831 -0.433 . . . . 72.02 109.831 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.417 HD23 ' NE1' ' A' ' 53' ' ' TRP . 3.2 tm? -83.24 106.01 14.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.383 -0.599 . . . . 73.35 109.383 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 17.1 mtp180 -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 75.45 110.16 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -97.91 114.78 26.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 74.54 110.465 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -103.21 129.26 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 72.54 109.445 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.18 145.01 17.39 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 121.071 -0.585 . . . . 75.34 112.629 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -139.8 169.74 17.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.886 0.374 . . . . 74.2 110.566 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.72 155.25 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.93 -0.766 . . . . 73.52 108.93 175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.83 108.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.162 0.506 . . . . 74.15 110.357 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.72 -68.58 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.182 -0.673 . . . . 75.23 109.182 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -77.2 90.77 3.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.557 -0.905 . . . . 72.11 108.557 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 HD21 ' N ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -58.94 167.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.199 -0.91 . . . . 75.12 111.996 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.54 -20.44 46.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.597 -0.729 . . . . 74.44 111.81 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.668 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 10.7 mtmp? -80.92 13.38 2.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.849 0.357 . . . . 75.23 110.862 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.83 173.08 7.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.025 176.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -61.9 -47.4 85.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 74.41 111.352 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -103.86 102.64 12.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 75.21 110.652 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.05 24.22 2.17 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.113 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.1 p -139.85 -47.21 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.644 -0.707 . . . . 64.24 110.668 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.28 85.55 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.329 0.585 . . . . 71.33 110.777 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 71.6 mt -75.42 125.36 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.736 -0.665 . . . . 73.41 109.788 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -63.66 -40.61 97.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 72.14 110.183 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -37.34 67.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.674 -0.694 . . . . 75.4 110.487 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 84' ' ' ILE . 35.5 tp -67.44 -42.3 83.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 74.02 110.269 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.96 -27.4 69.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.631 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 44.1 mt-10 -68.97 -42.8 76.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.165 0.507 . . . . 73.24 109.694 174.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.62 -43.29 97.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.45 -0.795 . . . . 73.42 110.027 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -65.92 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.546 -0.752 . . . . 73.02 110.273 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 82' ' ' GLU . 12.2 t80 -55.63 -38.97 70.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.668 -0.696 . . . . 73.32 111.135 177.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -43.36 79.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.51 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.09 -56.62 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 70.41 111.829 -175.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.0 m -74.38 91.41 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 73.41 112.454 -171.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.09 -32.04 11.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.849 -0.797 . . . . 74.11 108.849 167.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -162.22 -66.69 0.05 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.439 -0.8 . . . . 73.11 110.363 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.4 103.14 3.01 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.344 -0.455 . . . . 61.03 112.389 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.66 179.74 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.963 -0.384 . . . . 71.42 109.963 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 53' ' ' TRP . . . -162.38 149.69 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.476 -0.564 . . . . 74.14 109.476 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.88 165.84 7.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.636 0.255 . . . . 75.44 110.712 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 46.8 p90 -143.6 140.87 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.326 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.46 119.38 61.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.624 0.249 . . . . 74.42 110.972 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD22 HG13 ' A' ' 13' ' ' ILE . 9.6 mp -104.94 131.48 52.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.063 174.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.86 139.5 49.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 74.25 110.695 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -65.39 140.55 58.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.168 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.496 HG21 ' HG2' ' A' ' 101' ' ' ARG . 44.5 mm -97.82 -82.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.623 0.231 . . . . 72.32 111.623 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.496 ' HG2' HG21 ' A' ' 100' ' ' ILE . 5.3 ptp180 -153.96 -170.53 3.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.014 0.435 . . . . 75.43 111.099 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 28.6 mmmt -65.74 127.06 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.606 -0.725 . . . . 75.43 109.563 171.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.39 102.31 0.06 Allowed 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.471 0.482 . . . . 74.14 111.125 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.63 97.58 0.04 OUTLIER 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.962 -0.563 . . . . 73.43 110.079 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -58.25 112.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.614 -0.721 . . . . 75.55 109.259 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -57.41 128.54 37.56 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.39 0.431 . . . . 74.1 110.265 -176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -65.86 148.79 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.549 -0.75 . . . . 75.51 111.408 -170.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -153.47 136.52 15.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.626 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -79.91 70.86 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.578 -0.527 . . . . 65.41 109.578 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 m80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 115.958 -0.565 . . . . 74.13 110.558 -173.662 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.775 0.321 . . . . 73.55 110.646 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.3 pt -100.22 130.24 49.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.052 0.453 . . . . 73.2 110.846 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.3 51.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 110.549 -1.02 . . . . 73.3 110.549 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -125.69 105.43 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.864 -0.421 . . . . 74.14 109.864 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 m -89.47 -2.8 58.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 73.33 110.417 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.78 89.26 0.26 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.627 -0.715 . . . . 62.32 110.581 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -95.52 150.75 19.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.628 -0.714 . . . . 75.42 109.588 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.601 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -131.81 130.02 41.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.523 -0.547 . . . . 75.21 109.523 177.315 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.74 74.79 0.16 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.808 -0.917 . . . . 65.4 110.808 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.56 -45.16 91.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.66 -0.496 . . . . 72.11 109.66 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD11 HD21 ' A' ' 22' ' ' LEU . 58.5 mt -136.7 81.75 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.602 -0.726 . . . . 74.25 109.173 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -83.39 123.43 29.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 75.43 110.078 -179.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 HG13 HD23 ' A' ' 97' ' ' LEU . 36.8 mm -105.8 98.83 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.081 0.467 . . . . 75.33 110.475 -177.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.52 111.63 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 74.11 109.322 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.557 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.0 tt -137.77 132.41 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.356 -0.384 . . . . 74.32 110.483 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.557 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.2 mm100 56.43 33.92 23.33 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.298 -0.41 . . . . 72.12 111.143 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 66.19 27.56 10.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.957 -0.565 . . . . 75.44 110.64 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.53 141.6 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.639 . . . . 62.22 109.295 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -110.45 114.65 28.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.689 0.281 . . . . 74.11 110.822 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.39 171.12 12.84 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.131 0.572 . . . . 61.04 110.05 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' HD12 ' A' ' 100' ' ' ILE . 7.3 pt-20 -146.5 156.67 43.44 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.547 -0.538 . . . . 61.44 109.547 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 11' ' ' ILE . 58.3 tp -85.15 105.94 16.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.188 -0.301 . . . . 71.45 110.188 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.92 -22.76 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 74.1 111.416 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 17.3 t60 -154.73 138.98 16.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.409 -0.36 . . . . 71.31 110.901 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -139.7 153.97 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.403 -0.591 . . . . 74.13 109.403 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -148.62 131.82 16.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.12 110.821 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 62.11 25.59 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.437 -0.801 . . . . 64.51 111.338 171.188 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.3 21.96 12.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.254 -0.43 . . . . 71.23 111.085 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.0 72.0 Favored Glycine 0 C--O 1.238 0.403 0 CA-C-N 116.035 -0.53 . . . . 74.35 112.579 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -64.34 99.05 0.27 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.279 0.561 . . . . 74.24 111.203 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -123.6 109.21 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.69 . . . . 73.42 109.227 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -51.22 -42.09 60.73 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.857 0.361 . . . . 75.33 110.464 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.8 -39.15 65.25 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.524 -0.762 . . . . 71.32 111.396 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.32 -38.24 42.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.254 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.36 -56.73 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.584 -0.735 . . . . 74.51 110.764 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -66.19 -21.55 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 71.34 111.491 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.8 -18.78 42.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.799 0.333 . . . . 74.42 111.194 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.624 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -115.12 -14.38 11.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.341 -0.391 . . . . 74.23 111.375 -177.382 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.92 138.14 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.366 0.603 . . . . 72.01 111.772 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.7 m -144.65 148.32 34.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.177 -0.92 . . . . 75.42 109.153 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.65 -31.36 64.31 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.793 0.33 . . . . 74.33 111.718 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.54 -25.28 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.062 -0.517 . . . . 75.01 111.559 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HB3' HD13 ' A' ' 49' ' ' ILE . 87.1 mt -79.05 -27.57 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.43 -0.35 . . . . 74.24 111.61 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.06 -33.11 71.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.347 -0.388 . . . . 74.44 111.822 -175.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -3.09 12.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.037 0.384 . . . . 72.35 112.037 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -90.6 -19.97 23.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.426 0.155 . . . . 74.21 111.121 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 69.74 -0.55 2.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.206 0.602 . . . . 72.12 111.286 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 70.6 m-85 -147.83 125.75 12.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.068 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 43' ' ' LEU . 37.1 mm -111.62 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 75.0 109.645 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 61.6 t -118.51 112.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 71.54 110.204 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -115.2 121.92 5.45 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.664 -0.574 . . . . 75.31 111.664 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -118.74 142.91 47.25 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.888 -0.412 . . . . 64.54 109.888 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.452 ' HD1' ' O ' ' A' ' 93' ' ' ALA . 60.0 m95 -76.99 -34.22 57.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.017 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.49 -92.67 0.03 OUTLIER Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.945 -0.57 . . . . 74.14 112.139 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -93.92 -29.9 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 70.24 110.146 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.78 -36.35 0.5 Allowed Glycine 0 N--CA 1.454 -0.133 0 CA-C-N 115.919 -0.582 . . . . 73.41 112.018 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.49 90.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 73.33 110.352 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.76 113.63 2.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.333 -0.849 . . . . 74.52 110.677 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -122.3 143.33 49.68 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.089 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.1 mp -94.49 133.64 37.88 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.953 0.406 . . . . 75.24 110.486 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -131.0 138.76 49.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.052 -0.722 . . . . 75.42 109.052 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.75 147.24 18.52 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.95 -0.643 . . . . 61.52 112.285 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.0 m-85 -138.46 166.31 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.676 -0.49 . . . . 75.34 109.676 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.71 146.2 42.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.126 -0.488 . . . . 74.32 109.87 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' A' ' 77' ' ' ILE . 4.7 p-10 -67.37 120.24 13.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.995 0.426 . . . . 73.33 111.216 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -84.8 -49.61 8.29 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.282 0.563 . . . . 64.51 109.648 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -82.15 91.71 6.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.39 -0.823 . . . . 74.22 110.729 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 60.0 t30 -146.79 150.55 35.54 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.639 -0.874 . . . . 74.12 108.639 173.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 68' ' ' ASN . 28.2 tt0 66.14 105.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.514 0.509 . . . . 72.23 109.854 -173.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 84.3 tttt 58.76 31.48 21.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.827 0.822 . . . . 71.24 109.317 -172.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 146.79 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 74.45 111.393 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 t -64.05 -30.07 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.681 -0.489 . . . . 72.42 109.681 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -171.47 142.05 1.6 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.376 -0.829 . . . . 71.41 108.863 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.507 ' HG2' HG23 ' A' ' 75' ' ' THR . 42.3 tt0 -67.45 159.18 30.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.219 -0.289 . . . . 70.32 110.219 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.578 HG21 ' HD2' ' A' ' 98' ' ' LYS . 73.4 p 57.01 21.49 6.34 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.668 0.787 . . . . 75.21 112.202 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -96.5 117.55 31.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.005 0.431 . . . . 75.22 109.989 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 65' ' ' ASP . 59.7 mt -110.75 121.4 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.34 109.968 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -78.71 -42.57 27.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.498 -0.319 . . . . 65.35 111.108 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -66.68 -15.91 63.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.046 0.451 . . . . 74.43 110.518 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 HD13 HG12 ' A' ' 50' ' ' VAL . 37.4 tp -66.4 -41.8 88.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.732 -0.667 . . . . 65.34 110.335 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.48 -39.71 77.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.717 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 39.0 mt-10 -60.62 -50.13 74.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.711 -0.677 . . . . 75.55 110.001 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -58.68 -48.96 79.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.364 -0.835 . . . . 75.53 110.297 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -60.05 -41.13 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 72.05 110.539 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.28 -42.99 99.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.418 -0.355 . . . . 72.43 110.831 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 62.2 mm-40 -60.24 -32.49 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 72.31 110.683 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.96 -16.85 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 75.51 112.003 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 92' ' ' CYS . 25.9 t -154.3 119.56 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.089 0.774 . . . . 72.34 113.089 -171.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -105.79 -43.47 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.026 -1.101 . . . . 65.03 108.026 163.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -142.98 84.52 1.84 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.964 -1.017 . . . . 74.24 109.574 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.45 94.37 0.15 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.844 -0.693 . . . . 75.35 112.457 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 88' ' ' CYS . 5.7 p -175.87 168.53 3.02 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 122.602 0.361 . . . . 74.13 110.564 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' HD1' ' A' ' 53' ' ' TRP . . . -163.35 105.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.415 -0.587 . . . . 72.23 109.415 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 44.7 p90 -131.26 162.11 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 75.53 111.563 -173.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 43.8 p90 -133.78 147.51 51.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.259 -0.882 . . . . 71.21 109.792 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 42.8 t -122.94 116.91 50.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 123.277 0.36 . . . . 75.43 110.44 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 HD23 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -106.92 148.98 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.938 -0.574 . . . . 74.21 109.943 174.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.578 ' HD2' HG21 ' A' ' 75' ' ' THR . 61.8 tttp -116.44 148.2 40.96 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.156 -0.313 . . . . 73.3 110.156 175.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -78.75 111.96 15.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.138 0.494 . . . . 73.34 110.036 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.596 HG23 ' H ' ' A' ' 101' ' ' ARG . 24.4 mm -73.86 172.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.827 -0.624 . . . . 74.24 110.189 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.596 ' H ' HG23 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -50.56 -75.51 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.637 0.375 . . . . 72.24 111.891 -178.304 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.663 ' HB2' ' HZ1' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.32 156.34 1.21 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.972 0.415 . . . . 72.32 111.171 -178.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 103' ' ' LEU . 2.9 mm? -61.14 116.5 4.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.302 -0.863 . . . . 73.12 111.198 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.77 113.5 13.31 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.408 -0.36 . . . . 70.53 110.091 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -77.34 97.85 5.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.614 -0.513 . . . . 64.0 109.614 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -68.26 87.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 74.43 109.645 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -60.43 -25.85 66.27 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.66 -0.7 . . . . 74.2 112.118 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -72.76 82.23 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.099 0.476 . . . . 75.45 110.304 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -162.93 115.69 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 64.42 109.709 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.569 -0.729 . . . . 73.2 110.024 178.218 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.689 0.28 . . . . 75.13 110.701 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.507 ' N ' HD13 ' A' ' 2' ' ' ILE . 3.3 mp -97.15 94.17 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.357 -0.609 . . . . 74.4 109.357 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.89 -10.83 17.83 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.295 -0.478 . . . . 64.35 112.534 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 ttt -56.25 101.99 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.93 0.395 . . . . 74.11 111.272 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -102.1 107.58 18.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 73.1 109.406 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -116.68 -144.1 0.38 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.93 -0.577 . . . . 74.34 111.012 -171.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 79.73 -48.0 0.36 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.973 0.909 . . . . 74.41 111.663 175.555 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 8' ' ' ARG . 19.2 mtt180 -67.77 88.51 0.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.193 0.521 . . . . 73.24 110.445 176.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.53 116.78 0.53 Allowed Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.241 -0.891 . . . . 72.11 111.288 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -125.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.999 -0.741 . . . . 65.32 108.999 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.16 89.81 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.495 -0.775 . . . . 75.34 109.316 174.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.22 134.38 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.21 -0.904 . . . . 71.12 110.378 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.525 HG13 HD22 ' A' ' 97' ' ' LEU . 35.6 mm -113.84 99.88 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.431 -0.35 . . . . 74.42 110.504 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -94.61 114.16 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.142 -0.318 . . . . 75.23 110.142 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.543 HG12 ' HG2' ' A' ' 16' ' ' GLN . 12.2 tt -150.1 137.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 75.21 110.712 -177.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG2' HG12 ' A' ' 15' ' ' ILE . 32.9 mm-40 56.46 47.24 19.2 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.771 0.428 . . . . 74.23 111.52 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 m120 68.78 11.36 8.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.433 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . . . -118.43 148.97 42.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 61.24 111.288 -176.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HB2' HD23 ' A' ' 103' ' ' LEU . 39.2 tt0 -117.6 113.37 21.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.993 -0.549 . . . . 74.34 110.044 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 95.8 m-85 -111.21 171.99 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.709 0.403 . . . . 74.44 110.471 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -141.93 148.54 38.84 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.0 tp -79.24 103.3 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 75.32 110.039 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.96 -13.56 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.564 -0.289 . . . . 75.22 111.562 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -158.67 133.13 8.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 110.409 -0.219 . . . . 73.42 110.409 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.34 148.65 38.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.85 -0.796 . . . . 73.54 108.85 175.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 4.2 t80 -151.25 124.72 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.537 -0.542 . . . . 74.52 109.537 -176.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.7 mptp? 56.96 34.48 24.95 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.562 0.539 . . . . 74.44 110.94 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 54.52 31.67 15.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.593 -0.731 . . . . 73.43 111.18 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.97 -28.35 60.75 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 111.485 -0.646 . . . . 65.5 111.485 175.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -65.46 104.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.945 0.402 . . . . 73.51 110.303 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -127.53 99.0 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.75 -0.833 . . . . 71.2 108.75 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -50.94 -43.6 60.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.941 -0.572 . . . . 73.34 112.173 -171.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.05 -44.9 83.44 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.835 0.35 . . . . 71.03 110.563 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.86 76.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.303 -0.408 . . . . 74.52 110.27 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -58.85 -61.61 2.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.686 -0.688 . . . . 62.24 110.486 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -63.62 -29.11 70.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.856 -0.611 . . . . 74.3 111.103 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.61 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 60.1 111.351 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.75 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -108.17 -0.97 20.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.673 -0.24 . . . . 75.14 111.445 -178.29 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.68 137.33 44.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 110.203 -0.295 . . . . 73.34 110.203 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -141.99 160.11 40.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.342 -0.39 . . . . 70.15 110.296 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.45 -29.66 70.91 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.889 -0.596 . . . . 75.14 111.076 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.46 -28.57 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 73.45 110.669 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HB3' HD13 ' A' ' 49' ' ' ILE . 70.5 mt -86.82 -21.08 26.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.795 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.9 -27.55 68.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.637 -0.71 . . . . 74.11 110.833 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 4.6 ttmp? -72.1 -16.37 62.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 73.35 112.051 -175.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 87.0 m-85 -86.85 -34.96 19.3 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.886 0.699 . . . . 74.13 112.886 -172.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' CG ' HH21 ' A' ' 99' ' ' ARG . 1.9 m-20 72.93 0.32 3.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.285 0.634 . . . . 73.54 111.823 -175.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 73.9 m-85 -137.44 122.26 18.8 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.338 -0.616 . . . . 74.25 109.338 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.414 HD13 ' HB3' ' A' ' 43' ' ' LEU . 42.5 mm -120.68 119.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.669 0.271 . . . . 71.33 110.434 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 96' ' ' VAL . 61.9 t -113.8 137.15 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 65.41 109.505 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.14 123.85 4.56 Favored Glycine 0 N--CA 1.454 -0.155 0 N-CA-C 111.482 -0.647 . . . . 71.23 111.482 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.37 151.17 37.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.984 0.421 . . . . 64.32 110.46 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -108.47 32.09 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.592 -0.731 . . . . 64.03 109.649 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.08 -57.24 11.57 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.975 -0.557 . . . . 50.24 113.238 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -92.73 21.01 5.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.894 0.378 . . . . 73.32 110.663 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.03 15.59 74.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.0 -0.619 . . . . 72.13 111.822 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -125.62 114.48 18.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.106 -0.702 . . . . 75.44 109.106 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.55 109.22 5.35 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 110.027 -0.36 . . . . 75.04 110.027 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -119.06 138.1 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 74.44 109.932 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.47 112.18 24.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.011 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.4 tmtm? -104.02 128.05 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.552 -0.907 . . . . 74.22 108.552 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.86 147.17 18.48 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.739 -0.743 . . . . 73.45 112.443 -177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 97.7 m-85 -134.64 163.73 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.829 -0.434 . . . . 74.03 109.829 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -104.16 159.05 16.01 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.328 -0.619 . . . . 74.54 109.328 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.79 123.95 17.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.742 -0.466 . . . . 73.32 109.742 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 30.4 t70 -107.44 -78.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.33 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -84.34 71.3 10.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.484 0.659 . . . . 75.22 109.257 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -82.92 -8.37 59.58 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.001 -0.999 . . . . 75.11 109.81 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -77.55 133.06 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.542 -0.754 . . . . 73.12 109.382 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -65.2 90.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 72.41 110.547 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.66 79.77 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.431 -0.952 . . . . 72.55 108.431 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 m 73.48 -48.74 0.68 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.336 -0.847 . . . . 71.45 110.627 -172.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -110.86 167.12 10.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.448 -0.342 . . . . 73.34 110.137 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.88 -4.49 5.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.509 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.574 HG21 ' HD2' ' A' ' 98' ' ' LYS . 35.7 p -128.1 25.75 5.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.054 -0.521 . . . . 74.23 110.651 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -77.84 130.83 37.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.12 110.365 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.536 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 67.1 mt -128.13 111.85 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.176 -0.676 . . . . 72.13 109.176 176.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -58.8 -41.55 87.01 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.73 0.3 . . . . 75.21 111.409 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -71.59 -12.17 61.22 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.769 -0.196 . . . . 75.02 111.238 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 56.4 tp -66.04 -49.63 67.03 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.258 -0.645 . . . . 73.22 109.258 174.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.51 -46.93 66.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.265 -0.88 . . . . 61.45 109.983 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.95 -43.37 81.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.218 -0.901 . . . . 71.34 111.073 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -70.65 -48.25 55.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.007 -0.542 . . . . 74.34 110.722 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.95 -36.73 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.556 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -57.58 -31.5 66.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.779 -0.646 . . . . 73.25 110.998 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.22 -31.73 73.04 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.212 -0.449 . . . . 62.32 111.134 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -107.56 -64.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.521 0.677 . . . . 74.52 111.199 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 1.9 t -108.12 114.82 29.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.277 -0.874 . . . . 71.32 111.109 -168.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 89' ' ' ASN . 0.8 OUTLIER -106.95 -35.81 6.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.077 0.465 . . . . 75.24 110.209 176.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -101.95 9.2 40.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.962 -0.563 . . . . 75.33 111.36 -172.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.33 123.82 0.92 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 121.044 -0.598 . . . . 73.0 112.628 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.2 p -158.93 -167.29 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.929 -0.397 . . . . 63.05 109.929 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 114.61 8.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.221 0.452 . . . . 74.04 112.221 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -166.36 167.46 15.85 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.741 -0.663 . . . . 75.22 109.603 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.82 163.58 39.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.622 0.231 . . . . 72.41 111.622 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 50' ' ' VAL . 41.7 t -137.41 131.69 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.919 -0.582 . . . . 74.33 110.151 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -121.29 142.86 49.55 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.688 0.395 . . . . 72.42 111.053 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.574 ' HD2' HG21 ' A' ' 75' ' ' THR . 54.6 tttp -118.73 140.62 49.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.464 -0.569 . . . . 74.15 109.464 173.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 33.2 ttp180 -86.06 122.36 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 75.41 110.674 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 28.4 mm -65.74 -25.1 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 71.3 111.293 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 62.7 ttt180 76.13 -33.54 0.22 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.157 0.583 . . . . 74.4 111.362 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 100' ' ' ILE . 64.9 mttm -74.98 26.75 0.09 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.988 0.515 . . . . 72.52 112.101 -175.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.4 tm? -56.3 120.65 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.427 -0.583 . . . . 64.4 109.427 175.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -128.88 109.23 11.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.567 -0.531 . . . . 75.24 109.567 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -157.66 121.45 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.969 -0.752 . . . . 74.32 108.969 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -58.73 91.63 0.01 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.721 0.296 . . . . 54.12 110.592 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -67.35 147.2 53.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.477 -0.564 . . . . 73.03 109.477 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -52.29 131.42 32.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.013 0.435 . . . . 72.13 111.401 -175.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -68.86 147.73 51.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.492 -0.776 . . . . 75.42 111.277 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 117.957 -1.021 . . . . 73.32 109.462 176.794 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.4 mpp? . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.596 0.236 . . . . 75.34 110.369 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.549 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -136.04 177.47 6.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.664 -0.495 . . . . 71.42 109.664 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.26 145.79 4.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.883 -0.675 . . . . 64.43 112.727 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.39 22.87 7.31 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.436 0.636 . . . . 72.24 110.089 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -114.61 36.87 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.575 -0.739 . . . . 72.52 109.381 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -38.79 88.09 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.122 -0.945 . . . . 62.14 111.081 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 54.33 84.64 0.06 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.555 -0.748 . . . . 74.44 111.26 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 5.3 tpm_? 59.08 -85.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.041 -0.982 . . . . 74.43 111.498 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.9 55.61 24.88 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 110.905 -0.878 . . . . 73.04 110.905 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.15 -64.4 0.85 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 73.02 110.008 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.456 HD12 HD21 ' A' ' 22' ' ' LEU . 53.8 mt -117.04 84.93 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.618 -0.882 . . . . 74.41 108.618 174.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.62 131.95 36.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.6 -1.182 . . . . 74.3 110.499 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 16.7 mm -117.16 100.37 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.447 -0.575 . . . . 74.02 109.447 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.34 111.58 23.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.085 -0.339 . . . . 75.14 110.085 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.569 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.7 tt -150.62 137.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 74.42 110.66 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.569 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 54.23 46.83 24.43 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.895 -0.593 . . . . 74.14 111.458 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 62.82 28.66 16.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.813 -0.63 . . . . 65.22 111.736 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 135.15 38.62 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.599 -0.273 . . . . 64.32 110.955 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -95.94 116.56 29.11 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.565 -0.532 . . . . 55.01 109.565 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 43.1 m-85 -107.38 160.4 15.66 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.29 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HG2' HD13 ' A' ' 100' ' ' ILE . 13.8 pt-20 -124.6 133.19 53.35 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.543 -0.54 . . . . 63.14 109.543 172.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 11' ' ' ILE . 53.6 tp -77.31 103.47 7.26 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.089 -0.708 . . . . 73.5 109.089 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.553 HG13 HG21 ' A' ' 75' ' ' THR . 12.9 m -90.08 -25.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 74.23 111.51 -173.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -154.8 132.28 11.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.301 . . . . 72.33 110.336 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB2' HD23 ' A' ' 22' ' ' LEU . 39.9 t30 -127.85 108.91 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.221 -0.659 . . . . 64.44 109.221 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 56.5 t80 -95.3 113.39 25.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 73.12 110.411 -173.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 59.05 34.75 23.65 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.003 -0.544 . . . . 65.21 111.098 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.22 19.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.13 -0.486 . . . . 74.14 111.119 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -19.8 60.7 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.197 -0.525 . . . . 64.35 112.378 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.12 136.67 42.95 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.014 0.435 . . . . 75.1 111.117 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -151.58 121.78 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.377 -0.829 . . . . 73.21 108.809 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.45 -51.67 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 75.14 111.902 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 11.7 pt-20 -64.92 -32.42 74.12 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 121.179 -0.208 . . . . 75.34 111.361 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.32 67.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.849 0.357 . . . . 72.52 110.39 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.1 -58.23 9.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 65.23 110.817 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 33' ' ' GLU . 13.8 ptmm? -57.83 -31.06 66.25 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 62.41 111.608 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.09 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.393 -0.367 . . . . 61.52 111.341 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -106.51 -3.49 20.81 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.901 0.334 . . . . 74.03 111.901 -174.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -76.74 148.71 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.136 -0.32 . . . . 74.32 110.136 176.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.3 t -149.05 155.47 40.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.623 -0.51 . . . . 74.04 109.623 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.03 -23.86 67.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.427 -0.351 . . . . 75.2 111.52 -176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 tp -61.36 -28.42 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 121.134 0.493 . . . . 75.34 110.349 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB3' HD13 ' A' ' 49' ' ' ILE . 87.6 mt -83.54 -18.64 37.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.927 -0.579 . . . . 75.24 111.566 -176.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.19 -34.61 78.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.418 -0.356 . . . . 71.43 111.57 -173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -63.79 -15.76 59.54 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.116 -0.493 . . . . 70.25 112.182 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.532 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.8 m-85 -81.7 -22.87 37.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.601 0.239 . . . . 74.14 111.204 -175.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.38 0.2 1.67 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.292 0.637 . . . . 74.21 112.007 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -145.39 117.07 8.13 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.935 0.398 . . . . 72.21 110.413 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 43' ' ' LEU . 37.7 mm -115.41 117.42 55.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.621 . . . . 75.32 110.14 -178.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.9 t -119.16 116.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.035 -0.357 . . . . 62.45 110.035 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -104.87 129.75 9.96 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.17 -0.772 . . . . 60.15 111.17 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -108.99 154.02 22.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.287 0.565 . . . . 72.02 111.461 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.84 31.46 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.989 -1.005 . . . . 75.03 109.158 169.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.505 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . -49.5 -41.11 32.79 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.738 -0.665 . . . . 70.04 114.177 -170.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -123.47 19.94 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.476 0.655 . . . . 73.42 109.528 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.84 46.9 21.67 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.264 -1.134 . . . . 72.12 110.264 -169.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 9.2 pt20 -133.46 93.86 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.994 -0.603 . . . . 74.42 109.861 -173.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -70.08 91.77 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 73.43 110.022 -175.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 40.3 mtp180 -120.71 129.87 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 71.11 110.196 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.84 112.21 24.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.846 0.355 . . . . 65.54 110.126 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.537 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.9 tmtt? -107.13 130.4 54.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.133 -0.691 . . . . 74.3 109.133 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.63 139.75 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.242 -0.504 . . . . 72.3 112.086 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.9 m-85 -129.0 162.08 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.327 -0.249 . . . . 71.54 110.327 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -103.04 165.07 11.24 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.656 -0.498 . . . . 71.25 109.656 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.617 ' HB2' ' HB3' ' A' ' 68' ' ' ASN . 6.6 p-10 -71.27 122.67 20.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 74.41 110.829 -176.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -96.74 -55.79 2.78 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.09 -0.707 . . . . 71.41 109.09 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -120.19 76.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.696 . . . . 73.15 109.761 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.617 ' HB3' ' HB2' ' A' ' 65' ' ' ASP . 4.0 p30 -87.44 -12.49 45.98 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.394 -0.367 . . . . 75.45 110.027 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 72' ' ' THR . 59.3 tt0 -49.27 114.63 1.06 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.62 -0.718 . . . . 71.42 110.113 -179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.638 ' HB3' ' HZ3' ' A' ' 70' ' ' LYS . 1.8 mmmp? -56.6 -11.84 1.51 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.087 0.403 . . . . 63.33 112.087 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.27 -10.82 59.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.673 0.249 . . . . 54.33 111.673 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 69' ' ' GLN . 6.3 t -93.47 -164.27 1.15 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.372 -0.603 . . . . 64.33 109.372 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 76' ' ' LYS . 36.4 t80 -77.86 47.56 0.64 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.686 0.279 . . . . 73.34 110.92 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 63.34 -73.18 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.078 0.551 . . . . 75.34 110.97 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.553 HG21 HG13 ' A' ' 23' ' ' VAL . 41.9 p -103.93 112.99 26.21 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.099 -0.5 . . . . 75.2 110.952 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' HZ2' ' HB3' ' A' ' 73' ' ' PHE . 26.7 mmtm -147.02 119.81 8.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.28 0.562 . . . . 74.13 110.871 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.7 mt -119.95 128.41 75.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.585 -0.734 . . . . 75.12 109.411 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -76.57 -49.65 15.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 75.31 110.439 -174.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -64.17 -24.93 67.86 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.042 -0.527 . . . . 75.14 110.752 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.38 -34.92 74.58 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.464 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.16 -45.84 91.69 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.237 0.542 . . . . 72.22 109.901 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.0 mm-40 -65.55 -42.34 91.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.372 -0.831 . . . . 70.22 110.108 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -61.19 -55.76 28.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.17 -0.923 . . . . 75.2 111.11 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.78 -37.16 70.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.333 -0.394 . . . . 74.51 110.787 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -61.01 -22.59 64.69 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.96 -0.564 . . . . 75.35 111.42 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 17.7 mm-40 -81.11 -25.38 37.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.495 -0.321 . . . . 73.23 111.221 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HB3' ' HA3' ' A' ' 54' ' ' GLY . 99.1 m-85 -107.86 -62.32 1.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.859 0.362 . . . . 75.15 111.616 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 61.3 m -89.9 100.61 13.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.156 -0.474 . . . . 60.53 112.033 -170.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -93.79 -43.77 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.41 -74.1 0.13 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.657 -0.701 . . . . 74.53 110.062 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 81.71 0.37 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.789 -0.525 . . . . 74.32 111.789 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.505 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 48.8 t -158.55 168.31 27.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.634 0.254 . . . . 74.1 110.758 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -155.37 154.7 32.39 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.815 -0.439 . . . . 74.3 109.815 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -165.89 170.73 13.46 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 110.202 -0.295 . . . . 73.4 110.202 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -146.26 145.88 30.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 75.32 110.478 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.16 121.3 62.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.344 -0.389 . . . . 64.21 110.475 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 HD22 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -111.7 139.74 46.9 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.71 0.404 . . . . 74.42 110.446 176.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -111.53 122.13 47.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 74.45 109.882 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -81.5 129.39 34.64 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.232 -0.655 . . . . 74.42 109.232 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.707 HG23 ' HE2' ' A' ' 102' ' ' LYS . 8.8 mm -105.58 161.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.145 0.497 . . . . 73.13 110.974 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -77.39 33.96 0.16 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.611 -0.722 . . . . 65.35 110.795 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.707 ' HE2' HG23 ' A' ' 100' ' ' ILE . 42.2 mtmt -129.52 156.79 43.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.59 0.356 . . . . 75.22 110.633 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -143.1 108.03 4.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.155 -0.683 . . . . 74.04 109.155 168.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 61.36 34.94 18.14 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.259 -0.882 . . . . 73.43 111.115 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 102' ' ' LYS . 25.0 m-70 -79.99 -31.39 39.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.176 -1.046 . . . . 72.33 108.176 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -81.78 78.34 8.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.921 -1.14 . . . . 73.31 107.921 167.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -44.8 134.68 5.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.417 -0.81 . . . . 71.04 111.574 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -58.48 135.05 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.539 -0.755 . . . . 72.41 110.943 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -77.38 -6.15 52.31 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.209 0.528 . . . . 74.32 110.237 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.248 0.994 0 N-CA-C 108.622 -0.881 . . . . 65.25 108.622 174.595 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.793 0.33 . . . . 73.15 110.652 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.36 -57.49 3.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.312 -0.403 . . . . 73.54 110.187 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.0 126.16 0.81 Allowed Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.357 -0.697 . . . . 61.13 111.357 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.7 tpp -127.15 110.07 12.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.795 0.298 . . . . 72.12 111.168 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m 53.99 27.42 7.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.942 -0.572 . . . . 75.54 112.017 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.14 9.16 9.13 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.463 -0.335 . . . . 73.43 110.934 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.52 169.65 17.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.58 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -134.13 179.18 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 63.24 110.422 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -132.27 11.13 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.311 -0.715 . . . . 74.21 111.311 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG2' HG13 ' A' ' 11' ' ' ILE . 43.0 tt0 -153.25 -72.56 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.937 -0.394 . . . . 71.0 109.937 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG13 ' HG2' ' A' ' 10' ' ' GLU . 58.5 mt -106.47 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.368 0.604 . . . . 73.12 109.753 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptp -92.58 137.83 32.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.405 -0.816 . . . . 64.43 110.321 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 43.0 mm -120.76 102.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.45 109.682 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.78 123.76 50.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.029 -0.532 . . . . 74.52 110.15 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.552 HG12 ' HG2' ' A' ' 16' ' ' GLN . 6.3 tt -149.37 136.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.765 -0.652 . . . . 72.44 109.653 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.8 mm100 61.5 22.47 12.91 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.073 0.233 . . . . 75.41 110.942 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.38 32.14 9.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.129 -0.487 . . . . 64.5 110.553 -173.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.57 150.46 27.46 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.474 -0.565 . . . . 64.54 109.474 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.548 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 30.4 tt0 -111.53 114.13 27.0 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.165 0.291 . . . . 64.11 111.211 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.436 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 93.9 m-85 -131.15 166.33 21.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.3 0.24 . . . . 75.21 110.451 178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 100' ' ' ILE . 10.3 pt-20 -139.43 161.03 38.47 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.324 -0.621 . . . . 73.22 109.324 169.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 ' HB2' ' A' ' 25' ' ' ASN . 61.0 tp -89.85 103.19 15.87 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.472 -0.566 . . . . 74.03 109.472 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.25 -17.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.569 -0.287 . . . . 52.22 111.758 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -155.33 133.47 11.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 74.31 110.515 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' HB2' HD22 ' A' ' 22' ' ' LEU . 45.8 t30 -139.88 135.55 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.597 -0.52 . . . . 71.42 109.597 176.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -131.93 133.29 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.143 -0.317 . . . . 73.23 110.143 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 63.26 16.19 9.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.885 0.741 . . . . 72.21 110.293 178.217 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HA ' HD22 ' A' ' 25' ' ' ASN . 42.7 m-20 55.62 34.99 24.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.614 -0.721 . . . . 71.34 110.581 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' HB3' ' A' ' 93' ' ' ALA . . . -71.04 -14.74 73.79 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.287 -0.869 . . . . 73.21 112.284 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.12 129.14 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 74.52 111.105 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.518 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.4 t-20 -153.65 126.87 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.571 -0.9 . . . . 74.43 108.571 172.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.538 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -57.93 -43.8 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.271 0.357 . . . . 54.32 111.212 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.518 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.0 pt-20 -59.24 -41.79 89.56 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.486 -0.324 . . . . 73.32 110.368 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.98 97.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.221 0.534 . . . . 71.02 110.396 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -57.39 7.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 71.1 110.927 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 17.5 ptmt -70.91 -19.21 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 64.53 112.023 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.14 53.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.707 0.289 . . . . 54.44 111.174 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -97.29 -13.25 22.08 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.493 -0.321 . . . . 65.33 110.442 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.74 139.34 56.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.189 0.519 . . . . 72.31 112.003 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -136.2 146.43 46.81 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.052 -0.721 . . . . 60.12 109.052 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.28 -35.31 73.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.696 0.284 . . . . 72.34 111.503 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.05 -27.56 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.028 0.442 . . . . 74.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.44 -19.53 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 74.14 111.057 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -38.18 80.19 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.166 -0.47 . . . . 75.21 111.088 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -64.74 -21.85 66.85 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 71.3 112.384 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 94.4 m-85 -70.21 -28.71 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 74.12 110.899 -176.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 67.0 1.3 2.27 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.771 -0.649 . . . . 52.33 111.657 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CD2' HD11 ' A' ' 77' ' ' ILE . 41.3 m-85 -142.19 117.36 10.08 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.503 -0.554 . . . . 63.25 109.503 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -119.63 118.69 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 75.43 110.287 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 HG11 ' A' ' 96' ' ' VAL . 84.8 t -111.2 118.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 65.24 110.487 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.87 120.51 5.95 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.48 -0.648 . . . . 73.21 111.48 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.77 121.76 44.7 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.987 -0.375 . . . . 74.21 109.987 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -84.2 -60.59 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.058 -0.719 . . . . 74.15 109.058 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 50.29 -96.88 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.477 -0.783 . . . . 74.22 113.427 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -82.9 5.33 22.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.223 0.535 . . . . 74.04 110.957 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 4.64 59.82 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.886 -0.486 . . . . 71.23 111.886 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.97 80.97 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.877 -0.416 . . . . 72.2 109.877 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.91 107.82 0.92 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 75.23 109.928 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -131.11 158.19 41.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.356 -0.838 . . . . 72.43 109.188 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.71 118.27 36.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 71.03 111.21 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -97.79 138.14 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 72.13 109.664 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.86 135.85 12.41 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.024 -0.608 . . . . 72.31 112.315 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 63.5 m-85 -132.67 174.14 10.61 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.724 -0.473 . . . . 70.01 109.724 175.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -121.02 171.34 8.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 54.2 109.181 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 107.32 0.46 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.608 -0.516 . . . . 74.1 109.608 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.679 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 15.4 t70 -88.47 -69.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.579 . . . . 72.41 110.131 -175.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.516 ' HB3' ' CB ' ' A' ' 71' ' ' ALA . 74.9 mt-30 -90.51 76.56 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.306 0.574 . . . . 74.03 109.559 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.99 -16.3 41.31 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.298 -0.864 . . . . 74.42 110.75 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -166.6 156.17 11.34 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.777 -0.823 . . . . 72.4 108.777 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 60.6 39.96 17.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.698 -0.852 . . . . 75.25 108.698 -172.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' A' ' 67' ' ' GLN . . . -106.95 167.22 10.04 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.119 -0.946 . . . . 71.42 112.342 -169.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.7 m -74.78 -28.7 60.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 73.11 109.915 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -152.71 164.18 38.25 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.647 -0.871 . . . . 73.14 108.647 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.29 -33.99 44.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.971 0.415 . . . . 74.4 111.591 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -134.57 121.75 21.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.958 -0.565 . . . . 72.34 109.686 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -160.91 146.88 14.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.948 -0.76 . . . . 73.5 108.948 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.679 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 31.4 mt -126.09 110.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.936 -0.394 . . . . 74.15 109.936 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.8 t -65.83 -46.63 77.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.752 0.311 . . . . 60.3 110.718 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -63.81 -18.16 63.83 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.322 -0.399 . . . . 75.55 110.999 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 66.9 tp -66.83 -45.52 78.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.432 -0.349 . . . . 74.25 110.576 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.86 -43.77 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.963 -0.562 . . . . 70.31 110.158 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 23.2 mm-40 -65.73 -48.51 71.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 72.23 110.445 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.83 -56.51 18.62 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.776 -0.647 . . . . 75.13 111.244 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 88' ' ' CYS . 44.1 mm -58.29 -42.77 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 74.24 110.467 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.82 -30.1 60.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 74.4 110.764 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -79.92 -47.96 14.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.043 -0.526 . . . . 71.52 110.493 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -86.69 -81.71 0.22 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.88 -0.6 . . . . 71.21 111.037 -175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.49 ' HB3' HG23 ' A' ' 84' ' ' ILE . 37.1 t -81.26 82.36 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.21 0.529 . . . . 62.01 110.385 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -66.86 178.16 1.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 73.22 110.178 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.78 87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.037 0.446 . . . . 74.12 109.946 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.73 37.43 0.02 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.59 -0.732 . . . . 72.34 111.554 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.49 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 7.5 p -172.25 -167.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.588 -0.523 . . . . 72.14 109.588 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . . . -133.95 166.01 23.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.814 0.34 . . . . 64.41 111.529 -176.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -165.38 160.33 18.0 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.704 -0.68 . . . . 74.54 109.863 176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -144.2 153.94 42.61 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.488 -0.324 . . . . 74.22 110.684 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 50' ' ' VAL . 32.4 t -131.31 120.68 46.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.325 -0.398 . . . . 73.24 110.567 -175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.84 148.34 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.228 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -128.66 137.82 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 73.44 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 8.5 tpt180 -69.79 126.22 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.559 -0.534 . . . . 72.42 109.559 172.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 21' ' ' GLU . 38.4 mm -77.15 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.695 -0.23 . . . . 73.33 110.469 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -145.9 -81.93 0.15 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 110.448 -0.205 . . . . 74.13 110.448 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 147.59 22.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.608 -0.269 . . . . 75.11 110.364 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.468 ' N ' HD21 ' A' ' 103' ' ' LEU . 2.9 mm? -75.92 102.65 5.65 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.298 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -73.36 96.44 2.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.403 . . . . 74.23 110.044 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.88 -75.37 0.48 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.497 . . . . 72.31 109.868 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.2 m170 69.22 -53.03 0.59 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.59 0.756 . . . . 72.53 111.631 -176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -46.47 104.38 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.348 0.659 . . . . 73.21 110.769 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -78.94 36.79 0.29 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.952 0.501 . . . . 73.51 112.348 -171.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.29 92.86 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.035 -0.357 . . . . 74.04 110.035 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 119.019 -0.515 . . . . 63.11 109.944 -179.013 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.223 -0.288 . . . . 75.54 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.14 95.89 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.39 0.614 . . . . 74.05 110.845 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.07 81.64 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.461 -0.656 . . . . 74.43 111.461 176.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.526 ' SD ' ' NZ ' ' A' ' 102' ' ' LYS . 71.7 mtm -58.26 131.48 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 74.54 111.516 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -116.56 92.1 3.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.667 -0.864 . . . . 72.42 108.667 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.02 -177.83 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.882 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HZ3' ' HG2' ' A' ' 104' ' ' GLU . 0.4 OUTLIER -144.12 141.11 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 74.12 110.915 -173.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -72.42 -75.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.454 -0.573 . . . . 75.34 109.454 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.14 177.56 38.3 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.947 -1.12 . . . . 70.11 113.954 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -161.47 -73.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.306 -1.368 . . . . 65.34 107.306 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -133.36 81.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.832 -1.174 . . . . 74.04 107.832 167.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -102.91 138.83 39.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.08 -0.964 . . . . 75.24 110.592 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG13 HD22 ' A' ' 97' ' ' LEU . 19.1 mm -118.1 99.83 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 73.14 109.637 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.2 110.65 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.22 109.682 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.582 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.7 tt -143.22 135.99 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 74.25 109.952 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG2' HG12 ' A' ' 15' ' ' ILE . 71.4 mm-40 57.88 29.22 17.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 70.31 110.528 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 64.87 25.04 12.81 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.607 -0.724 . . . . 74.22 110.938 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.87 128.17 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.32 -0.622 . . . . 74.4 109.32 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 41.8 tt0 -95.42 136.64 35.54 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.683 0.278 . . . . 73.31 110.281 -178.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 84.2 m-85 -130.38 134.35 47.08 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.348 -0.612 . . . . 71.13 109.348 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.59 136.07 37.62 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.76 0.315 . . . . 71.12 110.191 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.9 104.84 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.318 -0.623 . . . . 73.4 109.318 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -96.44 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 73.15 111.808 -175.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -158.08 132.53 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.034 -0.358 . . . . 75.42 110.034 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -142.93 137.91 29.77 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.513 -0.551 . . . . 75.53 109.513 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 50.4 t80 -128.1 112.28 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.046 -0.353 . . . . 75.0 110.046 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.4 mptp? 56.88 34.17 24.35 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.103 0.478 . . . . 65.31 111.174 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 60.03 39.29 20.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.405 -0.816 . . . . 71.11 110.802 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.3 -28.41 61.74 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.324 -0.71 . . . . 51.51 111.324 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -64.42 136.16 56.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.125 0.488 . . . . 72.52 110.992 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -153.88 116.5 4.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.202 -1.036 . . . . 73.43 108.202 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.4 tt0 -65.17 -51.66 59.76 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.483 0.182 . . . . 75.4 111.349 -171.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.82 -34.78 76.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.49 -0.323 . . . . 61.01 110.704 -174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.85 57.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.472 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.04 -59.14 5.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.063 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.8 ptmt -63.92 -24.2 67.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 74.25 111.325 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.74 35.1 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.448 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.6 mmp_? -114.08 -2.04 13.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.57 -0.286 . . . . 70.04 111.128 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -67.22 114.4 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.984 -0.376 . . . . 75.43 109.984 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -89.15 134.02 34.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.093 -0.503 . . . . 63.53 109.837 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.88 -30.6 67.88 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 122.601 0.36 . . . . 74.31 110.886 -177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.14 -28.19 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 115.997 -0.547 . . . . 75.22 111.339 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' A' ' 49' ' ' ILE . 94.8 mt -71.18 -15.26 62.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.705 -175.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.39 -23.17 64.12 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.132 0.492 . . . . 75.33 110.823 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.36 -36.84 81.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.845 -0.616 . . . . 73.25 110.963 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 75.5 m-85 -84.56 -38.13 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 74.35 111.718 -169.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 99' ' ' ARG . 22.4 m-20 67.95 1.37 2.7 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.232 -0.44 . . . . 62.43 111.966 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 69.2 m-85 -129.59 115.66 17.73 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.533 -0.914 . . . . 75.1 108.533 171.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 43' ' ' LEU . 27.2 mm -114.76 126.63 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.686 -172.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG23 HD11 ' A' ' 80' ' ' LEU . 47.2 t -118.41 124.87 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 64.33 109.555 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -116.58 120.26 4.79 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.819 -0.705 . . . . 62.42 111.907 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.42 139.79 48.62 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.926 -0.398 . . . . 75.31 109.926 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.99 -88.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.072 -0.344 . . . . 74.32 110.072 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.07 -74.49 0.08 OUTLIER Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.305 -0.474 . . . . 75.31 112.36 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' A' ' 57' ' ' GLN . 19.7 t80 -86.65 178.07 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.023 -0.732 . . . . 71.22 109.023 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.28 28.04 1.0 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.148 -0.549 . . . . 74.34 113.779 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 55' ' ' TYR . 95.4 mt-30 -144.45 143.14 30.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.559 -0.534 . . . . 73.45 109.559 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.49 113.31 23.94 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.313 -0.625 . . . . 75.02 109.313 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 20.6 tpp85 -94.48 128.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.986 -0.376 . . . . 73.41 109.986 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.0 115.37 28.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.935 0.398 . . . . 72.22 110.256 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -110.73 138.69 46.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.589 -0.732 . . . . 73.43 109.584 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.78 141.81 15.37 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.329 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 80.5 m-85 -135.94 168.04 20.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.783 0.325 . . . . 73.45 110.747 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.49 156.46 20.84 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.282 -0.636 . . . . 61.32 109.282 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.69 153.67 16.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 110.244 -0.28 . . . . 70.04 110.244 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -137.5 -56.78 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.771 0.32 . . . . 73.31 110.632 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.85 -39.47 63.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.246 -0.433 . . . . 73.02 110.341 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 63.69 179.86 0.16 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.598 -0.728 . . . . 70.22 112.403 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.57 87.23 6.26 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.388 -0.824 . . . . 73.42 109.638 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -141.49 -45.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 74.41 110.02 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.76 -173.85 2.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.567 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -69.22 -18.24 63.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.886 0.375 . . . . 73.03 110.371 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -104.76 123.84 48.36 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.863 -0.608 . . . . 72.41 109.468 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -108.64 -57.08 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.698 . . . . 73.42 110.404 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.3 p -79.24 72.62 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.645 -0.707 . . . . 62.42 111.195 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -150.41 132.24 15.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.131 -0.692 . . . . 73.04 109.131 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.42 HG21 HG22 ' A' ' 79' ' ' THR . 64.7 mt -126.84 122.41 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.697 -0.483 . . . . 74.41 109.697 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -51.38 -49.79 60.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.332 -0.395 . . . . 71.12 111.631 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.42 HG22 HG21 ' A' ' 77' ' ' ILE . 14.4 t -69.22 -21.3 63.95 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.656 -0.247 . . . . 74.52 111.428 -177.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD11 HG23 ' A' ' 50' ' ' VAL . 50.6 tp -69.41 -42.42 75.09 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 109.845 -0.428 . . . . 73.14 109.845 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.57 -43.68 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 71.24 109.912 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 29.5 mm-40 -61.27 -49.7 75.99 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.681 -0.691 . . . . 74.41 109.975 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.77 -54.7 30.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.259 -0.882 . . . . 75.34 111.713 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.44 -39.6 79.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.898 0.38 . . . . 61.52 110.325 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.582 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 50.2 t80 -64.6 -39.23 93.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.555 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.9 mt-10 -61.81 -56.43 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 52.15 111.419 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -96.82 -28.47 14.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.204 0.816 . . . . 72.53 113.204 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 34.4 t -135.18 50.97 2.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.17 0.51 . . . . 73.34 111.552 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 51.9 t30 -69.39 -34.19 74.15 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.93 -0.577 . . . . 72.25 110.429 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.73 -71.19 0.16 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.722 -0.672 . . . . 74.13 110.412 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.71 94.36 0.1 Allowed Glycine 0 C--O 1.238 0.36 0 C-N-CA 121.139 -0.553 . . . . 75.31 111.903 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 23.0 p -135.78 159.81 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.53 -0.544 . . . . 73.53 109.53 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.0 134.97 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.638 0.256 . . . . 71.22 111.313 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -151.44 174.7 13.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.922 -0.581 . . . . 65.21 110.025 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -154.55 151.8 29.31 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.593 -0.276 . . . . 74.43 111.037 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.2 128.38 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 122.468 0.307 . . . . 75.01 110.595 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 20' ' ' PHE . 11.2 mp -111.6 146.48 37.32 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.787 0.435 . . . . 75.31 110.787 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -118.64 138.01 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 73.24 109.984 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 12.9 tpt180 -66.58 138.2 57.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.176 0.436 . . . . 75.41 112.176 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.0 mm -98.75 142.26 15.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.659 -0.7 . . . . 72.35 109.196 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -60.29 -48.32 82.22 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.619 0.247 . . . . 73.11 111.231 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' NZ ' ' SD ' ' A' ' 4' ' ' MET . 50.4 mtmt -125.1 176.11 6.92 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.555 -0.293 . . . . 75.21 110.659 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.31 155.34 19.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.123 0.487 . . . . 71.21 112.114 -175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HG2' ' HZ3' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -65.75 154.04 40.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.186 -0.915 . . . . 74.41 109.076 173.06 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 21.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.557 0.218 . . . . 75.53 111.32 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -66.88 -6.23 15.59 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.796 0.295 . . . . 74.23 111.796 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -68.47 -8.01 37.15 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.04 0.448 . . . . 71.22 110.115 172.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -95.08 117.05 29.52 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.772 -0.825 . . . . 74.41 108.772 171.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -56.31 120.09 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.332 0.395 . . . . 74.54 111.268 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.828 -0.606 . . . . 71.51 110.007 177.777 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.51 0 N-CA-C 111.604 -0.598 . . . . 62.05 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.1 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 63.12 108.596 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 22' ' ' LEU . 54.7 mt -140.64 82.42 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.195 -1.039 . . . . 43.32 108.195 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.555 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.36 122.32 35.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.289 -0.869 . . . . 72.32 110.532 -176.456 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.5 HG13 HD21 ' A' ' 97' ' ' LEU . 17.7 mm -107.7 108.61 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.763 -0.653 . . . . 75.34 110.098 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.86 115.31 30.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.03 -0.359 . . . . 75.51 110.03 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -141.26 142.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.272 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 53.95 33.42 17.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.8 0.333 . . . . 65.42 110.861 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.523 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 2.5 m-20 64.26 27.47 13.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.731 -0.668 . . . . 61.31 111.045 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.66 132.02 56.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.947 -0.57 . . . . 60.41 109.662 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -94.17 123.98 37.9 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.873 -0.417 . . . . 71.3 109.873 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.52 160.45 26.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.718 0.294 . . . . 75.25 110.451 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -133.82 129.75 36.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.088 -0.505 . . . . 75.5 109.675 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 11' ' ' ILE . 64.8 tp -74.17 101.7 4.04 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.474 -0.565 . . . . 70.44 109.474 175.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -87.89 -36.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 74.32 111.439 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.1 133.77 30.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.34 -0.244 . . . . 64.11 110.34 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -143.57 128.8 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 75.32 109.759 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -124.66 133.39 53.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 72.51 110.313 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 64.53 20.6 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.314 -0.857 . . . . 61.44 110.26 173.132 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 57.32 37.12 27.97 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.535 -0.757 . . . . 73.31 110.42 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.99 -16.01 70.09 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.571 -0.74 . . . . 73.44 112.26 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.95 97.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 71.14 111.331 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -107.69 112.36 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.693 -0.854 . . . . 53.22 108.693 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.4 -51.63 68.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.267 0.469 . . . . 53.01 112.267 -170.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.88 -40.16 91.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.976 -0.29 . . . . 55.34 110.634 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.68 85.16 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.352 -0.386 . . . . 73.14 110.257 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.43 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 59.9 t80 -55.98 -57.24 12.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.147 -0.479 . . . . 71.41 110.825 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HB2' HD12 ' A' ' 15' ' ' ILE . 14.2 ptmm? -67.99 -19.77 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 62.1 111.329 -174.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.21 34.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 75.33 110.535 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 38' ' ' ARG . 12.1 mmm180 -90.73 -14.47 32.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 65.41 110.75 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -64.22 155.07 33.01 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.86 -0.609 . . . . 73.54 111.232 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -149.33 148.43 29.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.168 -0.679 . . . . 73.01 109.168 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.28 -37.43 74.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.704 0.402 . . . . 64.5 112.044 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.09 -24.78 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.065 0.459 . . . . 75.35 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' HD12 ' A' ' 49' ' ' ILE . 89.2 mt -71.14 -27.41 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 73.52 111.387 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -57.91 -21.51 43.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.175 0.512 . . . . 70.03 110.62 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 74.02 112.091 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.3 -24.94 57.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.257 0.836 . . . . 74.12 113.257 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 22.5 t70 72.41 -0.11 3.4 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.197 0.522 . . . . 75.42 110.744 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -149.35 119.12 7.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.998 -0.547 . . . . 71.24 109.945 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.6 mm -112.81 114.53 47.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.828 0.346 . . . . 74.31 110.082 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.5 t -101.96 127.43 55.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.623 -0.51 . . . . 64.11 109.623 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -118.38 120.05 4.58 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.873 -0.68 . . . . 63.01 111.474 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.11 150.81 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.844 0.354 . . . . 74.1 110.06 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -97.37 27.05 4.42 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.017 -0.538 . . . . 70.45 110.367 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -66.75 135.72 33.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.23 -0.748 . . . . 30.51 111.23 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 61.7 t80 70.66 11.5 7.24 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.335 0.588 . . . . 61.33 110.058 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 -49.59 4.14 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.036 -0.529 . . . . 61.3 112.622 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.78 116.23 15.26 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.959 -0.386 . . . . 71.54 109.959 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 59' ' ' ARG . 4.8 tt -55.49 123.42 13.9 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.48 0.487 . . . . 70.01 110.179 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.563 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 18.6 mmm180 -107.39 129.12 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.51 109.839 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.08 102.52 12.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.541 -0.911 . . . . 50.14 108.541 168.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -114.77 126.77 55.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.162 -0.681 . . . . 75.15 109.162 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.02 146.23 18.04 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.013 -0.613 . . . . 60.1 112.648 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -124.58 169.46 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.223 -0.658 . . . . 74.3 109.223 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -103.41 163.14 12.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.678 -0.49 . . . . 64.54 109.678 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.28 109.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.679 0.752 . . . . 71.41 111.359 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 77' ' ' ILE . 13.7 t70 . . . . . 0 C--O 1.236 0.359 0 CA-C-N 114.963 -1.017 . . . . 74.43 110.913 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.949 0.722 . . . . 55.24 112.949 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -90.1 129.94 36.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.121 0.486 . . . . 74.15 110.978 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 66' ' ' ASP . 44.3 mt -114.88 107.47 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.587 -0.894 . . . . 65.12 108.587 173.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -64.29 -33.26 75.43 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.704 0.288 . . . . 51.01 111.721 -172.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -77.68 -11.21 59.85 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.101 0.477 . . . . 70.24 111.111 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 54.2 tp -69.59 -42.13 74.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.496 -176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.57 -49.88 61.2 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.976 -0.557 . . . . 70.24 111.438 -175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.92 -34.77 78.5 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.773 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.64 -53.54 54.87 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.014 -0.539 . . . . 74.31 110.479 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.419 HG23 ' HB3' ' A' ' 88' ' ' CYS . 42.1 mm -57.43 -41.28 78.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.803 -0.635 . . . . 74.51 110.436 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.92 -35.23 74.45 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.631 . . . . 73.14 111.082 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.76 -37.2 79.19 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.281 -0.418 . . . . 75.3 111.16 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.03 -75.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 73.31 111.015 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.419 ' HB3' HG23 ' A' ' 84' ' ' ILE . 34.3 t -88.24 71.29 9.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.35 0.595 . . . . 65.24 110.316 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.67 170.54 16.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.684 -0.689 . . . . 63.43 109.562 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -43.92 121.21 2.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.846 0.459 . . . . 64.01 111.068 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.69 51.5 1.19 Allowed Glycine 0 C--N 1.33 0.218 0 N-CA-C 110.512 -1.035 . . . . 73.12 110.512 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 93' ' ' ALA . 32.7 t -165.25 -174.21 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.204 -0.665 . . . . 24.21 109.204 -173.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.579 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -144.02 143.64 31.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.55 -0.167 . . . . 71.11 110.55 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -157.8 165.72 34.59 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.989 0.423 . . . . 74.14 110.444 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.93 155.11 38.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 70.45 109.544 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.18 123.79 51.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 120.666 0.269 . . . . 64.42 110.626 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 13' ' ' ILE . 10.3 mp -108.22 136.77 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 62.43 110.239 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -107.31 131.45 54.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.782 -0.644 . . . . 73.32 109.899 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.516 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 7.6 tmm_? -85.81 126.65 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.829 -0.804 . . . . 61.12 108.829 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 102' ' ' LYS . 26.6 mm -80.23 149.16 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 54.42 111.188 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -75.9 35.71 0.13 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.877 -0.601 . . . . 63.34 111.53 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 100' ' ' ILE . 23.6 pttp -171.63 176.82 3.6 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 109.312 -0.625 . . . . 71.42 109.312 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.2 tm? . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.434 -0.58 . . . . 72.31 109.434 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.334 0 N-CA-C 112.388 -0.285 . . . . 70.34 112.388 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -73.78 -52.4 13.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.86 0.362 . . . . 54.52 110.692 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.5 mt -115.44 92.42 2.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.228 0.537 . . . . 74.14 110.039 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -101.36 131.55 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.091 -0.959 . . . . 73.23 110.183 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG13 HD21 ' A' ' 97' ' ' LEU . 22.8 mm -113.66 115.0 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 74.35 110.069 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mp -105.52 117.89 35.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.481 -0.327 . . . . 74.03 110.342 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.591 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.4 tt -150.09 132.71 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.295 -0.411 . . . . 74.34 110.784 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.591 ' HG2' HG12 ' A' ' 15' ' ' ILE . 13.8 mm100 53.44 38.05 27.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.823 0.449 . . . . 61.21 111.621 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.34 23.51 12.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.385 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.18 138.73 52.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.435 -0.58 . . . . 75.52 109.435 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 103' ' ' LEU . 23.1 tt0 -117.14 132.84 56.57 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.395 -0.594 . . . . 63.42 109.395 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -128.78 160.09 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 62.15 110.51 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -118.56 141.61 48.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.493 -0.558 . . . . 75.03 109.493 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 25' ' ' ASN . 51.2 tp -84.81 106.8 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.608 -0.516 . . . . 74.32 109.608 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -91.48 -30.25 4.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.514 -0.312 . . . . 75.1 111.561 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -145.42 133.44 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.158 -0.312 . . . . 73.13 110.158 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.7 t30 -140.71 99.73 3.69 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.67 -0.493 . . . . 64.31 109.67 -178.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB3' ' H ' ' A' ' 94' ' ' TYR . 51.0 t80 -89.91 116.46 27.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 63.51 110.346 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 57.86 33.59 23.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.911 0.484 . . . . 63.23 111.328 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.407 ' HA ' HD21 ' A' ' 25' ' ' ASN . 2.3 m-20 58.4 30.82 20.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.853 -0.612 . . . . 73.02 110.91 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.58 -14.76 55.86 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.752 -0.658 . . . . 44.11 112.647 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 82.7 t80 -68.11 112.96 5.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.927 0.394 . . . . 74.24 110.985 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.7 105.37 9.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 53.55 109.338 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.1 tt0 -58.18 -37.01 73.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 73.44 110.823 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.579 ' HG2' ' N ' ' A' ' 34' ' ' ALA . 4.1 pm0 -56.38 -46.31 80.15 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.356 -0.384 . . . . 71.54 111.297 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.579 ' N ' ' HG2' ' A' ' 33' ' ' GLU . . . -78.89 -30.35 44.88 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.487 0.661 . . . . 75.13 109.46 -177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 61.51 110.073 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 19.5 ptmt -63.87 -19.74 65.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 54.13 111.163 -176.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.06 -47.2 16.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.556 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.618 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -89.04 -3.87 58.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.992 -0.549 . . . . 65.31 111.295 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HA ' HD12 ' A' ' 60' ' ' LEU . 87.6 t80 -72.54 139.96 47.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 73.12 111.314 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 m -133.97 140.22 46.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.57 -0.741 . . . . 45.4 109.606 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -56.69 -32.48 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.724 0.41 . . . . 62.24 111.281 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.94 -24.95 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.278 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.49 -12.65 61.17 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.281 -0.418 . . . . 72.42 111.475 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.13 -24.59 67.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.588 0.233 . . . . 75.44 111.235 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.92 -26.55 64.45 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.877 0.37 . . . . 71.52 111.245 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -83.1 -30.87 27.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.941 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.33 1.74 3.72 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.333 0.653 . . . . 72.35 111.724 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -141.62 122.02 14.04 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.914 -0.402 . . . . 63.41 109.914 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.9 mm -109.22 125.64 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.621 -0.511 . . . . 73.21 109.621 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.2 t -124.16 124.86 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 72.55 110.516 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.35 128.95 8.2 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.035 -0.826 . . . . 61.52 111.035 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.37 147.32 47.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.947 0.403 . . . . 72.02 111.576 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -104.19 -8.37 19.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.591 -0.731 . . . . 71.22 110.982 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.19 -23.71 73.2 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.345 -0.702 . . . . 62.41 111.345 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -74.13 -9.18 58.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.214 0.53 . . . . 74.31 110.325 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.53 -54.41 4.14 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.812 -0.515 . . . . 64.05 111.812 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -99.54 129.96 45.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.667 -0.494 . . . . 72.54 109.667 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.78 102.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.049 0.452 . . . . 73.41 109.948 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.35 136.67 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.442 -0.577 . . . . 74.02 109.442 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 39' ' ' TYR . 86.2 mt -92.72 122.0 34.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.969 0.414 . . . . 62.21 111.015 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -109.69 173.96 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 74.14 109.05 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.95 149.63 21.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.843 -0.694 . . . . 74.33 111.884 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' A' ' 80' ' ' LEU . 90.0 m-85 -136.05 165.42 25.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.73 -0.47 . . . . 71.34 109.73 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -103.16 170.85 7.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.128 -0.323 . . . . 74.11 110.128 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.47 107.76 0.54 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.424 0.63 . . . . 74.1 110.768 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB2' HG23 ' A' ' 77' ' ' ILE . 12.4 t70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.27 -0.877 . . . . 72.53 108.793 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.233 0.194 0 N-CA-C 111.913 0.338 . . . . 43.52 111.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.82 69.71 3.19 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.101 -0.703 . . . . 51.05 109.101 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.631 HG23 ' HB2' ' A' ' 66' ' ' ASP . 55.8 mt -68.28 103.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.041 -0.982 . . . . 73.24 110.162 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 t -57.48 -49.05 77.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.31 -0.404 . . . . 62.03 111.143 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -57.93 -27.29 63.24 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.983 0.42 . . . . 72.53 111.011 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.512 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -78.36 -43.41 27.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.132 -0.485 . . . . 73.23 110.199 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.25 -41.99 76.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.362 0.601 . . . . 72.12 109.897 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 12.3 mm-40 -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.217 -0.901 . . . . 73.34 109.985 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -58.47 -34.89 71.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.502 -0.772 . . . . 74.4 110.57 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.5 mm -67.23 -44.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.052 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -58.63 -31.65 68.3 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.068 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 8.4 mm-40 -60.77 -49.36 77.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 72.21 111.216 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -90.51 -55.36 3.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 75.53 110.555 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -81.39 87.19 6.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 63.34 111.356 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -83.72 -32.59 25.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.748 -0.834 . . . . 72.24 108.748 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -173.41 146.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.812 -1.086 . . . . 74.23 108.607 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.37 84.03 0.1 OUTLIER Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.9 -0.667 . . . . 75.35 112.041 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p -151.08 177.77 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 62.22 110.386 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.36 124.41 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.728 -0.841 . . . . 71.41 108.728 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.455 ' H ' ' HB3' ' A' ' 26' ' ' PHE . 32.4 p90 -148.13 155.67 41.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.88 0.372 . . . . 75.11 110.573 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 43.6 p90 -133.02 148.98 52.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 75.24 110.231 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -128.64 120.55 52.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.15 -0.477 . . . . 62.1 110.156 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -106.26 143.14 34.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.729 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.59 127.02 53.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.726 -0.67 . . . . 71.02 110.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.8 107.72 3.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.246 -0.434 . . . . 72.51 110.511 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.9 mm -68.51 141.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.096 -0.705 . . . . 75.3 109.096 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -71.12 2.16 4.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.555 0.576 . . . . 62.22 112.555 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -175.05 -172.33 0.59 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.47 0.176 . . . . 63.05 110.718 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 103' ' ' LEU . 1.8 mm? . . . . . 0 C--O 1.239 0.53 0 N-CA-C 109.071 -0.714 . . . . 74.44 109.071 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.519 0 N-CA-C 109.811 -1.316 . . . . 73.32 109.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.95 -57.59 5.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.58 -0.31 . . . . 74.41 110.519 -171.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 58.5 mt -140.95 79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.953 -0.758 . . . . 74.11 108.953 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.77 108.67 14.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.512 -0.767 . . . . 72.31 111.671 -173.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.526 HG13 HD21 ' A' ' 97' ' ' LEU . 15.9 mm -101.55 99.56 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.781 . . . . 62.41 109.756 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -93.06 116.91 29.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.137 -0.32 . . . . 71.11 110.137 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.5 131.94 16.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.948 0.404 . . . . 64.02 110.933 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 49.63 62.0 2.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.684 -0.689 . . . . 72.12 112.466 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 66.84 5.64 4.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.084 -0.507 . . . . 73.34 112.127 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.06 133.26 53.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.993 0.425 . . . . 74.32 111.071 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -95.55 125.12 39.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.687 -0.688 . . . . 64.21 109.315 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.09 166.11 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.723 -0.473 . . . . 65.21 109.723 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -147.91 152.58 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.428 -0.582 . . . . 74.12 109.428 166.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.27 100.99 2.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.076 -0.511 . . . . 61.2 109.99 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.59 -8.12 10.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.318 -0.401 . . . . 53.31 111.416 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 8.0 t-80 -160.79 133.24 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 73.22 110.018 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -130.39 154.52 47.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.327 -0.62 . . . . 64.01 109.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.67 111.88 7.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.018 -0.734 . . . . 75.25 109.018 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 20.2 ttmm 64.83 20.0 12.0 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.75 0.656 . . . . 72.42 110.812 173.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.67 47.03 19.12 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.484 -0.78 . . . . 75.33 110.921 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.19 11.11 59.0 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.623 -0.717 . . . . 75.01 112.308 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -84.6 112.65 20.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.892 0.377 . . . . 74.24 110.663 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -121.86 117.68 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.024 -0.732 . . . . 53.42 109.024 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -56.59 -49.04 76.08 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.089 0.243 . . . . 73.55 110.915 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.03 -44.26 87.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 71.42 111.016 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 65.44 110.253 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.97 -59.06 5.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.503 -0.771 . . . . 75.24 110.855 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 16.6 ptmt -69.64 -34.83 74.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 72.55 111.805 -172.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.44 -28.03 56.45 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.885 0.374 . . . . 64.11 111.668 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 4.3 mmp_? -107.2 9.46 30.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.828 0.347 . . . . 73.1 110.487 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.527 ' HA ' HD22 ' A' ' 60' ' ' LEU . 74.2 t80 -70.22 121.22 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 73.52 110.432 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.715 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 23.8 m -90.87 128.44 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.645 -0.502 . . . . 72.15 109.645 175.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.26 -38.41 68.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.166 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.59 -30.77 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.015 -0.539 . . . . 61.45 111.654 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.715 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 84.0 mt -65.39 -24.36 67.2 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.838 0.351 . . . . 64.2 111.181 -176.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.27 -26.23 64.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.547 . . . . 61.34 111.071 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.97 -13.99 59.9 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.668 -0.696 . . . . 71.23 111.396 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 43' ' ' LEU . 96.5 m-85 -90.7 -20.14 22.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.985 0.365 . . . . 72.02 111.985 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER 72.53 1.74 4.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.824 0.45 . . . . 75.25 112.183 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 25.5 m-85 -136.31 130.13 32.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.962 -0.384 . . . . 72.52 109.962 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -125.24 113.95 37.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 123.493 0.496 . . . . 72.04 109.792 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.04 133.55 68.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 75.02 110.513 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.09 128.7 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.824 -0.91 . . . . 62.3 110.824 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -114.13 158.04 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.334 0.588 . . . . 65.21 111.158 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -110.93 28.1 9.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.095 -0.957 . . . . 70.42 109.34 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.63 -63.53 5.02 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.9 -0.591 . . . . 55.33 112.781 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -74.16 -29.48 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 74.23 110.241 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.56 -47.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.168 -0.773 . . . . 70.55 111.168 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.6 108.21 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.817 -0.438 . . . . 72.51 109.817 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.89 121.38 9.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 62.14 110.188 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -136.78 136.48 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 70.32 110.116 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 39' ' ' TYR . 6.1 mp -92.99 151.19 20.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.531 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -144.21 155.28 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.676 -0.49 . . . . 75.31 109.676 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 48' ' ' TYR . . . -112.27 143.53 17.57 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.278 -0.487 . . . . 75.02 112.555 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 86.8 m-85 -144.55 177.35 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.981 0.513 . . . . 61.34 109.9 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -124.54 156.85 36.66 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.744 -0.835 . . . . 71.43 108.744 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HA ' HG12 ' A' ' 77' ' ' ILE . 1.3 p30 -78.18 108.19 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 61.43 110.47 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-N 115.362 -0.835 . . . . 65.4 110.117 176.777 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 111.928 0.344 . . . . 73.43 111.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.67 104.58 15.52 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.071 0.463 . . . . 72.22 111.501 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.666 HG12 ' HA ' ' A' ' 65' ' ' ASP . 49.4 mt -111.32 122.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 71.25 109.781 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -78.27 -44.99 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 72.44 110.107 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 t -64.01 -20.11 65.67 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.495 -0.321 . . . . 60.34 110.883 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' H ' HG22 ' A' ' 77' ' ' ILE . 57.9 tp -76.73 -37.2 56.42 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.115 -0.328 . . . . 75.52 110.115 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.05 -42.86 91.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.238 0.542 . . . . 73.21 109.956 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 17.6 mm-40 -64.04 -48.75 75.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.476 -0.784 . . . . 73.11 110.326 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -51.65 -46.71 63.81 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.467 -0.788 . . . . 75.02 111.461 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 80' ' ' LEU . 49.2 mm -63.07 -42.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.317 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -63.91 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.702 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.0 mt-10 -78.64 -49.48 13.12 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.24 -0.436 . . . . 73.24 111.175 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.71 -78.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.32 112.035 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.2 t -84.47 64.95 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.392 0.615 . . . . 74.14 110.644 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -105.88 11.11 32.19 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.474 0.654 . . . . 73.41 110.089 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.11 -162.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.627 -0.715 . . . . 74.35 109.83 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.68 46.83 3.16 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.969 -0.634 . . . . 51.45 112.315 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.2 p -96.66 -164.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.747 0.419 . . . . 74.15 110.544 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.97 32.5 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.041 -0.355 . . . . 41.31 110.041 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -166.63 168.43 14.5 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.863 0.363 . . . . 73.3 110.857 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -141.8 146.49 35.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 75.22 110.212 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 60.3 t -128.32 119.15 49.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 120.789 0.328 . . . . 64.31 110.671 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -107.66 136.59 47.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 74.34 110.024 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.78 139.52 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 75.22 109.877 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 102.05 5.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.682 -0.488 . . . . 74.32 109.682 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 102' ' ' LYS . 42.3 mm -65.04 147.27 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.815 -0.629 . . . . 71.43 109.474 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -77.98 -3.78 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.589 -0.278 . . . . 64.12 111.466 -173.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.548 ' H ' HG22 ' A' ' 100' ' ' ILE . 25.6 mtmm -95.22 169.94 9.74 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 110.224 -0.287 . . . . 73.23 110.224 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--O 1.238 0.465 0 N-CA-C 109.195 -0.669 . . . . 45.42 109.195 173.352 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.027 -0.429 . . . . 70.41 112.027 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.548 ' HG2' HG13 ' A' ' 11' ' ' ILE . 36.6 tt0 -155.19 -76.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.652 -0.499 . . . . 62.21 109.652 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.5 mt -132.52 93.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 63.45 109.604 176.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 32.23 109.993 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 20.1 mm -99.99 114.05 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.265 -0.425 . . . . 54.32 110.017 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -108.75 111.71 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.984 -0.376 . . . . 74.3 109.984 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -145.46 142.82 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 64.25 109.433 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.3 mm100 58.47 23.35 10.6 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.739 0.304 . . . . 63.43 110.444 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 m120 62.45 36.52 14.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.319 0.581 . . . . 73.11 110.673 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.8 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.583 -0.735 . . . . 64.31 109.14 173.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.43 124.92 50.1 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.177 0.298 . . . . 75.45 110.419 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 53.6 m-85 -122.13 159.15 27.77 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.308 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -125.24 138.63 54.11 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.241 -0.651 . . . . 54.41 109.241 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.6 tp -81.13 100.33 9.0 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.969 0.414 . . . . 65.22 109.994 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.19 -14.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 73.54 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -163.53 132.94 4.05 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.915 0.388 . . . . 73.5 111.621 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 30' ' ' PHE . 49.2 t-20 -123.23 132.65 54.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.16 -1.052 . . . . 65.04 108.16 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 73.2 t80 -122.71 110.18 15.18 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 72.3 109.993 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 55.26 53.09 10.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.649 0.593 . . . . 74.53 111.287 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.64 27.29 15.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.966 0.412 . . . . 73.03 110.52 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.68 96.89 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.746 -0.661 . . . . 53.11 112.719 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 59.9 t80 -73.89 94.84 2.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 75.23 111.491 -177.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -109.08 113.11 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.407 -0.96 . . . . 61.52 108.407 169.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.9 tt0 -57.39 -41.75 80.87 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.964 -0.384 . . . . 74.05 109.964 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.35 -44.08 64.99 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.369 -0.832 . . . . 74.32 111.223 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.33 -38.74 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 42.42 110.495 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.74 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 74.12 110.909 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.9 ptmt -63.63 -24.13 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 70.23 111.36 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.15 -26.81 35.78 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.329 -0.396 . . . . 73.12 111.186 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -99.32 -21.48 16.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.351 -0.386 . . . . 62.23 111.152 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.88 131.7 48.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.082 0.468 . . . . 73.53 112.079 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t -124.44 156.89 36.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.38 -0.827 . . . . 72.41 110.062 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.69 -17.04 62.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.269 -0.423 . . . . 52.52 111.131 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -59.22 -28.65 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.24 0.543 . . . . 75.01 110.441 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 49' ' ' ILE . 71.2 mt -81.77 -13.93 57.09 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.597 -0.729 . . . . 65.15 111.398 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -60.22 -33.76 72.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.466 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.41 -11.53 60.27 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.236 -0.438 . . . . 44.42 111.974 -175.132 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 97.6 m-85 -89.35 -31.19 17.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.773 -0.194 . . . . 72.42 111.136 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 69.03 1.46 3.19 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.139 0.576 . . . . 63.43 112.011 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -134.77 115.32 13.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.162 -0.681 . . . . 73.34 109.162 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.2 mm -112.4 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 73.21 110.338 -175.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 96' ' ' VAL . 61.5 t -113.85 148.34 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.578 -0.527 . . . . 74.01 109.578 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.74 121.3 2.11 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.331 -0.708 . . . . 61.25 111.331 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -103.84 138.37 40.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.002 -0.369 . . . . 75.12 110.002 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -81.83 -30.27 32.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 73.33 109.826 175.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.12 -79.23 0.01 OUTLIER Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.535 -0.757 . . . . 55.32 112.158 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -128.89 -21.69 3.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 75.15 110.17 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.41 -31.88 0.39 Allowed Glycine 0 C--O 1.234 0.144 0 N-CA-C 111.054 -0.819 . . . . 74.23 111.054 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.48 88.58 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.392 -0.595 . . . . 71.33 109.392 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 59' ' ' ARG . 1.7 tt -67.97 125.7 27.14 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.389 -174.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 83' ' ' TYR . 22.6 ttm-85 -122.95 132.17 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.705 . . . . 74.41 110.158 -177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.17 141.51 31.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.871 0.367 . . . . 54.12 110.088 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -139.5 130.4 26.22 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.911 -0.774 . . . . 73.23 108.911 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.04 141.04 16.07 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.882 -0.675 . . . . 70.34 111.705 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.66 165.28 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 73.44 110.589 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 154.73 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.896 -0.779 . . . . 64.43 108.896 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -70.69 113.41 7.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 72.32 111.121 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.793 -0.64 . . . . 74.34 109.605 173.251 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.46 -0.57 . . . . 74.32 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.8 tptt 44.45 35.01 1.19 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.825 0.821 . . . . 74.0 111.098 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 66.7 mt -57.38 118.34 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.262 -0.881 . . . . 71.43 110.292 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 t -62.33 -44.24 96.96 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.646 -0.252 . . . . 61.04 111.192 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -63.25 -25.98 68.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.235 0.541 . . . . 62.1 110.136 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 45.1 tp -75.82 -41.42 52.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 53.54 110.128 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.33 -33.73 71.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.722 -0.672 . . . . 70.21 110.017 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.19 -49.18 15.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.504 -0.771 . . . . 63.12 110.167 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 59' ' ' ARG . 87.7 t80 -53.58 -44.85 69.7 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.373 -0.831 . . . . 64.45 111.628 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.72 -48.31 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.429 -0.35 . . . . 65.41 110.661 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -57.81 -27.48 63.17 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.11 -0.495 . . . . 50.52 111.712 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.39 -31.12 57.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.751 0.31 . . . . 75.14 111.156 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -110.75 -56.49 2.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.926 0.394 . . . . 72.54 111.733 -173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.26 114.29 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.13 110.378 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -112.22 -53.73 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.673 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -160.72 150.21 17.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.142 -0.318 . . . . 72.32 110.142 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.19 2.58 67.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.231 -0.509 . . . . 75.33 111.864 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.4 p -112.8 178.29 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.706 0.402 . . . . 71.54 110.039 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -139.07 162.29 35.3 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.474 -0.33 . . . . 65.32 110.986 -176.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.82 177.16 8.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.005 -0.543 . . . . 75.03 109.913 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.7 152.53 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.544 -0.298 . . . . 72.4 110.733 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.457 HG13 HG22 ' A' ' 50' ' ' VAL . 44.4 t -128.75 120.17 51.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.843 0.354 . . . . 72.42 110.612 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.87 136.42 48.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.06 -0.518 . . . . 72.0 110.382 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -111.28 117.38 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.93 -0.577 . . . . 65.43 109.585 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.696 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 2.2 tmm_? -83.11 130.99 35.16 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.764 -0.458 . . . . 60.23 109.764 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mm -76.29 3.93 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.162 -0.472 . . . . 51.42 111.536 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.696 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 17.3 mtp180 57.84 13.9 2.29 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.608 0.718 . . . . 43.04 110.255 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.606 ' HG2' ' N ' ' A' ' 103' ' ' LEU . 21.1 ttmm -134.32 167.24 21.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.179 -0.919 . . . . 74.41 109.776 -170.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.606 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 2.8 tm? . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 168.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.858 -0.097 . . . . 73.42 112.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.26 -55.5 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.382 -0.97 . . . . 73.43 108.382 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HD23 ' A' ' 22' ' ' LEU . 63.8 mt -136.62 90.68 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.602 -0.888 . . . . 62.45 108.602 171.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.51 131.42 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 73.12 110.302 -176.127 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 24.0 mm -113.83 121.91 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.345 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.72 112.7 24.57 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.981 -0.377 . . . . 70.52 109.981 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -146.93 147.02 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.362 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.0 mm100 53.38 28.24 7.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.897 0.479 . . . . 54.14 111.535 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 45.0 m-80 64.21 44.57 4.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.933 -0.576 . . . . 64.42 110.809 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.59 138.88 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.572 . . . . 74.34 109.625 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 100' ' ' ILE . 19.1 tt0 -90.46 140.38 29.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.586 -0.524 . . . . 73.43 109.586 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 90.5 m-85 -134.43 158.9 42.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.954 -0.387 . . . . 75.33 109.954 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -131.28 145.1 51.75 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.524 -0.547 . . . . 64.51 109.524 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.447 HD23 HD12 ' A' ' 11' ' ' ILE . 50.9 tp -80.6 117.84 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.699 -0.482 . . . . 72.12 109.699 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.87 -22.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.606 0.241 . . . . 72.33 111.444 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.98 138.86 20.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.706 0.288 . . . . 73.01 111.033 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 32.4 t30 -157.57 142.74 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.629 -0.714 . . . . 74.41 109.547 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' HD1' ' HB2' ' A' ' 27' ' ' LYS . 13.6 t80 -149.28 136.67 20.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.688 -0.486 . . . . 72.13 109.688 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 65.16 28.28 12.2 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.709 0.631 . . . . 60.42 110.567 176.425 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.6 25.93 12.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 71.31 110.351 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.55 -29.34 60.79 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.786 -0.643 . . . . 51.33 112.31 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -70.1 97.52 1.19 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.372 0.606 . . . . 65.52 110.983 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.9 106.8 14.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.231 -0.895 . . . . 75.04 108.6 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 40.5 tt0 -49.56 -44.72 46.96 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.443 0.464 . . . . 74.32 110.977 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.33 -35.99 72.73 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.039 -0.528 . . . . 72.33 111.151 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.88 62.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.004 0.43 . . . . 73.2 110.292 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.8 -57.86 10.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.653 -0.703 . . . . 74.01 110.694 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.5 ptmm? -61.39 -29.34 69.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.527 . . . . 75.52 111.311 -177.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.2 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.956 0.407 . . . . 61.55 110.774 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -78.47 -26.85 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 73.12 111.521 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.27 124.06 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.155 0.502 . . . . 74.01 111.704 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.7 t -118.33 152.71 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 70.11 108.671 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -60.32 -31.6 70.44 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.622 0.249 . . . . 61.22 111.425 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.0 tp -61.15 -28.94 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.892 0.377 . . . . 54.23 111.159 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.63 -18.95 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.76 0.314 . . . . 72.44 111.308 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.7 -27.05 68.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.457 -0.338 . . . . 65.21 111.335 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.03 -18.37 65.3 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.307 -0.406 . . . . 72.44 111.374 -176.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 48' ' ' TYR . 95.6 m-85 -82.98 -25.06 32.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.438 -0.346 . . . . 62.54 110.301 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 3.2 p30 48.26 11.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.688 1.195 . . . . 43.31 113.744 -174.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' H ' ' C ' ' A' ' 46' ' ' TYR . 69.3 m-85 -137.24 114.53 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.332 -0.988 . . . . 72.13 108.332 169.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mm -114.51 114.85 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 73.33 110.381 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 80' ' ' LEU . 99.5 t -104.66 111.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.202 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.54 119.81 5.95 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.933 -0.867 . . . . 73.52 110.933 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -120.0 129.01 54.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -85.4 -41.91 15.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.634 -0.506 . . . . 74.41 109.634 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.49 -90.99 0.01 OUTLIER Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.444 -0.798 . . . . 72.44 114.071 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -88.32 1.78 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 72.5 111.218 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.37 26.69 6.45 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.148 -0.478 . . . . 42.12 112.039 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.5 119.08 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 65.54 109.718 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.04 108.96 15.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 72.42 110.202 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 59' ' ' ARG . 41.2 ttm180 -124.72 140.17 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 71.4 109.593 176.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.82 112.37 24.31 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.038 0.447 . . . . 61.13 110.014 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -105.47 122.51 46.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.589 -0.893 . . . . 64.23 108.589 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.55 142.67 18.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.87 -0.681 . . . . 70.34 112.666 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -130.13 168.44 16.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 64.43 110.328 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -107.65 170.2 8.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.962 -0.563 . . . . 73.21 109.843 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -61.59 130.3 45.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.046 0.451 . . . . 73.54 110.239 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' HG23 ' A' ' 77' ' ' ILE . 28.2 t70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.895 -0.593 . . . . 72.43 109.986 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.234 0.247 0 N-CA-C 111.65 0.241 . . . . 64.23 111.65 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.53 116.13 30.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.928 0.395 . . . . 75.3 111.479 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 66' ' ' ASP . 65.9 mt -95.3 112.03 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.866 -0.791 . . . . 75.02 108.866 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -62.85 -47.06 85.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.672 -0.24 . . . . 72.33 111.349 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -62.59 -24.59 67.64 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.933 0.397 . . . . 71.44 110.636 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD21 HG21 ' A' ' 96' ' ' VAL . 60.3 tp -73.76 -38.14 64.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.155 -0.475 . . . . 61.15 110.282 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.66 -39.25 73.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 60.5 109.979 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.3 -38.15 60.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 65.2 110.218 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.29 -55.14 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.288 -0.869 . . . . 62.24 110.857 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.48 HG23 ' HB3' ' A' ' 88' ' ' CYS . 49.3 mm -60.92 -37.5 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 73.31 110.41 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.22 -28.64 63.07 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.745 -0.662 . . . . 74.42 110.512 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.43 -51.82 7.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.951 -0.568 . . . . 72.25 110.756 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -80.2 -84.81 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.989 -0.55 . . . . 74.52 111.38 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 84' ' ' ILE . 38.8 t -75.84 97.44 3.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.853 0.358 . . . . 44.11 110.276 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -49.63 119.68 3.63 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.032 -0.531 . . . . 63.22 110.009 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -44.81 98.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.749 0.656 . . . . 73.43 110.758 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -22.38 1.19 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.222 -0.899 . . . . 71.21 111.019 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.434 ' SG ' ' C ' ' A' ' 88' ' ' CYS . 3.9 p -88.75 -167.89 2.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.436 0.294 . . . . 65.3 110.473 175.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.17 133.8 49.34 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.388 0.514 . . . . 70.52 112.388 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -160.0 167.02 28.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.487 -0.779 . . . . 75.01 109.129 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -158.06 160.23 37.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.73 0.3 . . . . 70.25 110.827 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.454 HG21 HD21 ' A' ' 80' ' ' LEU . 40.9 t -139.93 123.17 17.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.358 -0.383 . . . . 63.15 110.205 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 13' ' ' ILE . 10.0 mp -107.39 140.99 39.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.973 0.416 . . . . 72.43 110.812 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -111.21 130.39 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.331 -0.85 . . . . 75.35 109.653 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 47' ' ' ASP . 3.7 tmm_? -79.38 122.28 26.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.097 0.475 . . . . 71.33 110.465 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 39.5 mm -85.16 144.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 74.22 110.011 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' H ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -90.15 58.42 4.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.084 0.469 . . . . 75.13 111.056 -178.328 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 39.0 mttt -153.76 151.52 29.68 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.65 -0.704 . . . . 73.03 110.623 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 1.3 tm? . . . . . 0 C--O 1.235 0.332 0 N-CA-C 107.694 -1.225 . . . . 73.25 107.694 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 111.099 -0.801 . . . . 55.31 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 11' ' ' ILE . 34.3 tt0 -159.97 -60.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.778 0.289 . . . . 42.23 110.422 175.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' HG2' ' A' ' 10' ' ' GLU . 68.0 mt -130.63 101.94 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.301 -0.409 . . . . 72.25 110.34 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.9 OUTLIER -106.85 135.42 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.812 -0.44 . . . . 74.1 109.812 177.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 HD21 ' A' ' 97' ' ' LEU . 23.4 mm -110.2 108.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 62.22 110.625 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -99.46 126.86 45.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.023 0.44 . . . . 71.15 110.06 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.79 HG12 ' H ' ' A' ' 16' ' ' GLN . 11.0 tt -144.82 -173.09 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.334 -0.617 . . . . 62.51 109.334 -175.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.79 ' H ' HG12 ' A' ' 15' ' ' ILE . 15.6 mm100 -43.03 99.9 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.226 0.61 . . . . 72.22 112.561 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 55.95 27.58 11.37 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.881 -0.599 . . . . 75.02 111.393 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.4 132.82 22.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.842 0.353 . . . . 71.1 111.457 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.527 ' HB2' HD23 ' A' ' 103' ' ' LEU . 32.7 tt0 -117.69 119.22 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.546 -0.909 . . . . 73.44 108.546 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.13 168.63 11.01 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.295 0.238 . . . . 70.22 110.513 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' MET . 14.8 pt-20 -136.87 143.67 43.15 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.601 -0.518 . . . . 74.43 109.601 169.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 43.6 tp -79.54 100.38 7.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 61.41 109.604 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.38 -16.51 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.108 -0.496 . . . . 63.31 111.262 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -159.28 133.64 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.555 -0.293 . . . . 62.41 110.508 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 28' ' ' ASP . 50.2 t30 -144.03 114.6 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 63.12 109.905 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -102.99 130.23 50.02 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.5 -0.318 . . . . 71.33 110.222 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.47 13.51 8.9 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.125 0.57 . . . . 75.31 110.682 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 m-20 54.99 33.02 19.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.657 -0.701 . . . . 75.01 110.336 -172.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.89 -4.38 40.83 Favored Glycine 0 C--N 1.334 0.442 0 CA-C-N 115.467 -0.788 . . . . 25.41 112.767 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 71.3 t80 -62.02 103.1 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 75.33 110.767 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' OD1' ' HG3' ' A' ' 33' ' ' GLU . 24.9 t-20 -110.3 101.5 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.829 -0.804 . . . . 61.42 108.829 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -56.18 -51.69 67.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.875 -0.602 . . . . 75.04 111.817 -172.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HG3' ' OD1' ' A' ' 31' ' ' ASN . 7.3 pt-20 -55.77 -39.69 71.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.454 -0.339 . . . . 75.25 111.311 -177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HG ' ' A' ' 58' ' ' LEU . . . -67.18 -44.83 78.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.93 0.395 . . . . 73.32 110.558 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.36 -57.06 14.3 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.69 -0.686 . . . . 71.31 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.28 -19.36 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 73.44 111.7 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.56 -24.03 34.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.811 0.338 . . . . 71.11 111.169 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 5.6 mmp_? -109.2 -4.14 16.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.331 -0.395 . . . . 75.44 111.555 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 60' ' ' LEU . 85.3 t80 -60.54 115.69 3.78 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.856 0.36 . . . . 74.35 111.858 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 45.6 m -95.44 122.2 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 74.44 109.46 173.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -50.59 -40.68 53.13 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.34 0.496 . . . . 63.25 112.34 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tp -55.16 -28.16 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 120.981 0.419 . . . . 75.5 111.875 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 93.1 mt -67.6 -21.14 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 72.14 111.645 -176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.81 -28.61 66.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.005 0.431 . . . . 75.35 111.124 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -60.75 -31.94 71.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.83 -0.623 . . . . 64.54 111.363 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 34.8 m-85 -68.91 -24.2 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 74.41 111.614 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t70 72.61 -0.69 3.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.246 0.618 . . . . 43.03 111.007 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -145.95 115.43 7.16 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.282 -0.417 . . . . 73.51 110.068 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 43' ' ' LEU . 34.6 mm -117.62 117.15 54.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.248 -0.433 . . . . 64.41 109.921 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 96' ' ' VAL . 43.6 t -116.78 122.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.554 -0.294 . . . . 74.13 110.532 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -105.23 121.68 6.96 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.66 -0.576 . . . . 65.02 111.66 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -111.22 153.59 25.62 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.044 0.45 . . . . 62.43 111.24 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -111.15 37.34 2.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.474 -0.785 . . . . 75.44 109.661 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -56.34 15.81 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.725 -0.67 . . . . 60.4 113.525 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.57 1.73 56.61 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.936 0.398 . . . . 72.24 110.069 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.58 -26.29 20.69 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.432 -1.067 . . . . 75.34 110.432 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.65 123.06 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.638 -0.505 . . . . 65.45 109.638 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' HG ' ' HB1' ' A' ' 34' ' ' ALA . 3.0 tm? -71.67 109.28 5.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.153 -0.684 . . . . 75.42 109.153 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.553 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 4.0 mmp_? -114.66 130.18 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.083 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' TYR . 11.1 mp -93.81 113.65 25.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.811 -0.44 . . . . 64.23 109.811 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.5 121.77 45.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.893 -0.594 . . . . 72.22 109.444 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.08 133.34 11.7 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.11 -0.567 . . . . 64.2 112.025 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 89.2 m-85 -125.76 164.25 21.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 75.13 110.746 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.92 171.69 7.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 74.34 109.86 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.38 131.6 51.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.998 0.428 . . . . 70.41 110.526 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 10.0 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.593 -0.73 . . . . 73.13 109.23 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.148 0.499 . . . . 62.23 111.763 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.56 78.69 4.33 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.334 -0.617 . . . . 61.51 109.334 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.6 mt -62.21 108.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 71.11 110.467 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -57.68 -50.09 74.32 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.101 -0.499 . . . . 73.23 111.131 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 t -61.2 -26.64 67.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.014 0.435 . . . . 75.44 110.79 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 31.9 tp -72.32 -40.63 67.3 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.191 -0.458 . . . . 65.33 110.123 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.47 -39.46 87.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 70.23 109.549 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.0 -29.57 66.68 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.267 -0.879 . . . . 72.23 110.371 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -71.02 -40.64 71.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.627 -0.715 . . . . 75.24 110.616 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.01 -37.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 75.21 110.278 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.39 -17.79 60.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.916 -0.583 . . . . 71.34 111.269 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.27 -29.4 63.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 75.25 111.186 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -110.91 -49.41 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.433 0.635 . . . . 63.13 111.043 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 92' ' ' CYS . 55.8 m -94.5 114.18 26.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.007 -0.997 . . . . 63.33 111.896 -168.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -91.38 -44.19 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.671 -0.863 . . . . 53.33 108.671 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -152.15 -65.46 0.17 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.364 -0.834 . . . . 62.51 109.47 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.45 107.69 2.03 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 110.753 -0.939 . . . . 74.52 110.753 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 88' ' ' CYS . 51.1 t -143.89 168.42 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 64.43 111.107 -172.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -164.97 118.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.712 -0.676 . . . . 74.22 109.814 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -161.36 160.64 29.84 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.794 -0.447 . . . . 72.41 109.794 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 30.1 p90 -136.08 140.28 43.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 50.43 110.802 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 50' ' ' VAL . 43.5 t -117.82 117.63 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.39 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 13' ' ' ILE . 10.2 mp -108.53 136.76 47.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.771 -0.65 . . . . 72.32 110.022 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.45 143.29 36.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.457 -0.571 . . . . 65.42 109.457 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -75.52 116.85 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 61.13 110.947 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 102' ' ' LYS . 49.6 mm -76.28 111.57 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.886 -1.153 . . . . 73.11 107.886 168.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -69.88 78.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.093 0.949 . . . . 73.54 109.369 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HB3' HG22 ' A' ' 100' ' ' ILE . 31.7 tttm 175.92 136.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 113.519 -1.673 . . . . 50.11 108.536 -171.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 108.196 -1.039 . . . . 65.11 108.196 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 110.231 -1.148 . . . . 74.2 110.231 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.7 -50.53 64.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 117.674 0.737 . . . . 72.03 109.603 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 22' ' ' LEU . 49.9 mt -127.09 87.52 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.772 -0.649 . . . . 53.3 109.312 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.487 -0.779 . . . . 73.01 110.506 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 97' ' ' LEU . 20.5 mm -120.99 98.86 6.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.488 -0.56 . . . . 73.05 109.488 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.42 122.24 43.91 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.417 -0.586 . . . . 60.35 109.417 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.0 tt -150.73 136.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.574 -0.285 . . . . 72.12 110.978 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.9 mm-40 53.99 45.97 26.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.004 -0.543 . . . . 71.53 111.654 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 58.08 38.66 26.58 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.031 -0.531 . . . . 65.32 110.805 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.21 142.1 42.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 44.15 110.325 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 103' ' ' LEU . 40.5 tt0 -101.95 114.18 28.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.596 -0.729 . . . . 75.22 110.383 -176.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 78.7 m-85 -120.04 164.47 16.09 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.617 -0.512 . . . . 61.23 109.617 175.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 100' ' ' ILE . 11.0 pt-20 -147.05 149.29 32.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.929 -0.767 . . . . 72.1 108.929 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD23 HD12 ' A' ' 11' ' ' ILE . 57.7 tp -74.29 102.97 4.52 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.651 -0.5 . . . . 72.35 109.651 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -92.5 -22.92 5.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.068 -0.515 . . . . 75.01 111.417 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.5 t60 -156.77 135.32 11.51 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.308 -0.256 . . . . 64.33 110.308 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 28' ' ' ASP . 34.4 t30 -143.71 137.74 28.37 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -137.3 135.3 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.058 -0.349 . . . . 64.21 110.058 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.65 19.58 11.44 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.985 -0.552 . . . . 64.24 110.737 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 25' ' ' ASN . 30.3 m-20 57.26 32.14 21.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.955 -0.566 . . . . 75.12 110.774 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -16.66 64.12 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.995 -0.548 . . . . 61.11 112.502 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.31 130.61 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.73 0.3 . . . . 74.54 111.175 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.59 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.1 t-20 -154.47 125.44 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.106 -0.702 . . . . 75.21 109.106 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 26.6 tt0 -61.14 -50.66 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.504 -0.317 . . . . 72.02 111.571 -174.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.59 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.8 pt-20 -58.82 -32.94 69.83 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.732 0.301 . . . . 71.21 111.161 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' HD23 ' A' ' 58' ' ' LEU . . . -78.3 -42.07 31.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 71.4 110.359 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.94 -58.06 10.06 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.783 -0.644 . . . . 75.3 110.989 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.7 ptmt -63.7 -19.76 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 74.31 111.488 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.58 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 73.51 110.849 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.8 mmp_? -92.54 -1.45 56.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.362 -0.381 . . . . 65.05 111.725 -176.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.86 142.16 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.817 -0.438 . . . . 72.15 109.817 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.416 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.2 t -139.98 158.27 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 72.53 110.373 -177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.46 -47.64 84.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.621 -0.718 . . . . 74.22 112.082 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.05 -31.22 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.01 0.434 . . . . 75.24 111.337 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.591 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 88.6 mt -67.58 -30.14 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 64.54 111.13 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -55.02 -45.65 75.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 70.34 112.105 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -70.31 -12.84 61.86 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.444 0.535 . . . . 62.32 112.444 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.591 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 70.6 m-85 -71.63 -26.48 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.36 -0.212 . . . . 74.53 110.5 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 19.0 t70 76.59 -0.31 3.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.332 0.653 . . . . 74.23 110.901 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -142.97 127.12 17.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.485 . . . . 71.14 110.221 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 43' ' ' LEU . 24.0 mm -119.31 113.49 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.496 -0.557 . . . . 73.1 109.496 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.8 p -124.87 120.84 59.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.81 0.338 . . . . 45.31 110.31 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.02 125.73 8.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.189 -0.529 . . . . 73.31 112.147 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -104.65 133.84 48.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.924 0.393 . . . . 73.22 110.285 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.413 ' CZ2' HD22 ' A' ' 58' ' ' LEU . 77.0 m95 -97.02 -0.71 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.834 -0.621 . . . . 72.55 109.756 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.3 92.99 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 115.765 -0.652 . . . . 74.31 112.712 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.17 -14.91 63.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.913 0.387 . . . . 75.31 110.577 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.37 -51.35 0.7 Allowed Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 111.573 -0.611 . . . . 52.31 111.573 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -103.98 131.47 51.2 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.316 -0.624 . . . . 72.41 109.316 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 ' HB1' ' A' ' 34' ' ' ALA . 59.9 tp -56.39 117.05 3.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.188 0.518 . . . . 74.12 111.943 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.539 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 29.0 ttm105 -113.04 129.16 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.512 -0.767 . . . . 73.12 109.619 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 38' ' ' ARG . 10.1 mp -94.37 107.5 19.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.432 -0.581 . . . . 60.3 109.432 173.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -99.12 163.03 12.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 75.4 109.409 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.26 144.62 15.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.979 -0.629 . . . . 75.12 112.357 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -137.78 168.3 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.866 -0.42 . . . . 75.31 109.866 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.98 164.83 11.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.611 -0.514 . . . . 65.25 109.611 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 109.56 1.05 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.517 0.675 . . . . 61.3 110.492 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 77' ' ' ILE . 25.9 t0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.135 -0.939 . . . . 73.14 109.672 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 110.666 -0.124 . . . . 64.42 110.666 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -145.97 133.8 21.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.687 0.28 . . . . 62.21 110.273 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 80' ' ' LEU . 61.6 mt -144.38 114.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.004 -0.739 . . . . 74.31 109.004 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -72.44 -45.51 59.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 73.02 111.076 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -61.69 -18.91 61.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.986 0.422 . . . . 75.24 110.853 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' H ' HG22 ' A' ' 77' ' ' ILE . 50.6 tp -64.04 -47.64 79.42 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 109.703 -0.48 . . . . 74.35 109.703 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.53 -41.06 96.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.641 -0.709 . . . . 60.42 110.081 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.06 -38.23 78.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.653 -0.703 . . . . 73.12 110.706 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -71.89 -48.72 43.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.72 -0.673 . . . . 74.43 110.621 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 88' ' ' CYS . 46.9 mm -57.85 -41.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 72.02 110.28 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -56.42 -26.02 52.1 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.621 . . . . 71.53 111.641 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.92 -56.61 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.361 -0.381 . . . . 73.13 111.51 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -88.1 -42.34 12.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 75.55 111.413 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 44.3 t -113.21 85.44 2.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 71.44 110.431 -174.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.32 150.82 46.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.979 -0.555 . . . . 74.22 110.784 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.0 t80 67.01 -73.59 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.776 0.672 . . . . 74.5 110.776 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.46 75.89 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.521 -0.632 . . . . 64.1 111.521 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.5 p -89.02 -157.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.264 -0.273 . . . . 74.12 110.264 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.59 127.44 32.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.873 0.368 . . . . 72.31 111.599 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -165.21 155.04 13.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.754 -0.657 . . . . 65.24 109.607 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.43 152.1 42.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.5 -0.318 . . . . 63.54 110.554 -177.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 46.5 t -129.48 121.85 54.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 123.504 0.503 . . . . 73.24 110.91 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 11.3 mp -111.91 147.77 35.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.029 -0.73 . . . . 54.11 109.029 171.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -113.07 133.68 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.181 -0.303 . . . . 64.01 110.181 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 6.5 tmm_? -74.92 93.17 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.867 -1.16 . . . . 72.42 107.867 174.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 21' ' ' GLU . 40.8 mm -61.14 -71.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 65.44 111.791 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -167.0 -170.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.0 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -85.32 75.88 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.42 0.526 . . . . 73.1 112.42 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.472 0.66 0 O-C-N 124.299 0.999 . . . . 44.24 113.156 165.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.503 0 N-CA-C 111.78 -0.528 . . . . 55.52 111.78 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.27 -63.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.502 -0.555 . . . . 64.31 109.502 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 22' ' ' LEU . 75.8 mt -143.85 93.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.591 -0.731 . . . . 71.3 109.211 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.07 122.11 41.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.044 -0.525 . . . . 75.43 110.694 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 HD21 ' A' ' 97' ' ' LEU . 32.1 mm -107.32 101.24 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 44.42 110.236 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.5 mp -92.88 111.13 22.63 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.682 -0.488 . . . . 73.12 109.682 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.589 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.2 tt -141.94 134.07 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.306 -0.406 . . . . 51.41 110.871 -176.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.589 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.0 mm-40 52.81 39.95 29.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.867 0.467 . . . . 73.24 111.27 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 58.38 43.97 19.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.39 0.614 . . . . 61.54 110.778 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.3 118.53 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 63.34 109.681 174.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.98 116.3 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 72.32 110.117 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -115.09 167.15 11.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.436 -0.347 . . . . 73.31 110.315 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.4 pt-20 -134.3 144.1 48.13 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.51 -0.552 . . . . 64.23 109.51 171.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 25' ' ' ASN . 48.2 tp -82.14 100.93 10.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.682 -0.488 . . . . 63.3 109.682 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.78 -29.17 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 74.31 111.163 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -146.57 133.59 20.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 63.44 110.644 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' A' ' 22' ' ' LEU . 41.0 t30 -140.12 108.43 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.45 -0.574 . . . . 75.21 109.45 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 33.6 t80 -93.29 126.32 38.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 60.3 110.726 -176.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 9.9 mmpt? 60.71 23.41 13.28 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.713 0.633 . . . . 72.21 111.503 175.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.47 38.48 28.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.146 0.498 . . . . 74.3 110.99 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -77.34 -1.81 76.92 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.803 -0.635 . . . . 62.32 112.88 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.3 97.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 51.45 111.177 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -112.03 102.26 10.49 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.47 -0.567 . . . . 75.11 109.47 172.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.533 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 17.6 tt0 -55.18 -42.62 73.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.747 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.03 -40.39 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 71.51 111.282 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.91 57.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 75.11 110.162 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HD11 ' A' ' 60' ' ' LEU . 66.6 t80 -57.82 -58.56 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 63.23 111.152 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.5 ptmt -68.32 -19.46 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 72.14 111.403 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -42.99 19.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.214 -0.448 . . . . 54.11 110.798 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.8 mmp_? -89.18 -6.39 56.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.292 -177.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -57.07 139.18 53.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 73.51 110.474 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 m -132.39 152.4 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.485 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.19 -41.26 79.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.226 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.508 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 8.0 tp -58.49 -28.44 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.007 -0.542 . . . . 74.15 111.445 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' A' ' 49' ' ' ILE . 95.5 mt -73.73 -24.75 59.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 44.41 111.807 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.62 -27.07 66.0 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.42 0.526 . . . . 74.54 112.42 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -79.66 -20.37 46.82 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.948 0.722 . . . . 61.32 112.948 -172.183 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.9 m-85 -72.2 -25.68 61.76 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.988 0.736 . . . . 70.14 112.988 -170.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.7 m-20 69.11 0.29 2.76 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.831 0.452 . . . . 74.33 111.64 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.863 0.465 . . . . 72.33 109.804 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HB3' ' A' ' 43' ' ' LEU . 43.8 mm -118.6 115.12 47.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.33 109.897 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 96' ' ' VAL . 68.1 t -112.83 125.03 70.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.288 -0.415 . . . . 74.12 110.007 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -101.64 120.25 6.79 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.928 -0.869 . . . . 34.34 110.928 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -111.4 152.07 27.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.118 -0.327 . . . . 65.21 110.118 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -104.61 39.1 1.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.138 -0.483 . . . . 75.12 109.867 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.92 128.74 48.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.576 -0.738 . . . . 74.04 111.961 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.0 t80 67.75 1.73 2.76 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.019 0.527 . . . . 54.25 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.57 -7.09 45.79 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 121.209 -0.519 . . . . 62.42 112.836 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.73 134.09 48.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.28 -0.267 . . . . 71.52 110.28 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.6 120.24 23.66 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.984 -0.376 . . . . 64.54 109.984 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.516 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 19.8 ttm180 -126.45 142.5 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 61.23 110.549 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.8 mp -100.16 112.09 24.4 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.487 -0.56 . . . . 72.12 109.487 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 9.8 tmtt? -106.96 129.76 54.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 63.33 108.784 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -86.32 127.85 8.56 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.874 -0.679 . . . . 50.05 111.994 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 94.7 m-85 -118.48 161.81 19.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.32 . . . . 72.42 110.44 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.88 170.03 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.078 -0.51 . . . . 74.32 109.823 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.33 132.31 40.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 74.3 110.779 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 116.009 -0.541 . . . . 72.42 110.722 178.139 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.235 0.316 0 N-CA-C 111.938 0.347 . . . . 62.44 111.938 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -105.55 110.77 23.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.114 0.483 . . . . 70.42 110.544 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.6 mt -93.79 135.47 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.872 -0.604 . . . . 74.14 110.024 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.7 m -77.75 -52.17 9.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 73.04 110.515 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -57.66 -24.27 55.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.994 0.426 . . . . 75.25 110.775 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 36.5 tp -61.71 -60.25 3.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 71.52 110.975 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.48 -33.83 73.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.013 0.435 . . . . 70.51 110.645 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -66.29 -40.86 90.31 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.858 -0.61 . . . . 75.5 110.376 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -66.61 -44.96 80.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.66 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.3 mm -59.39 -40.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.635 . . . . 75.15 110.9 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.88 -28.22 67.36 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.046 -0.525 . . . . 75.41 111.294 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.74 -36.17 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 64.05 111.766 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -118.72 -38.67 3.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.596 0.591 . . . . 72.04 112.596 -170.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.631 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.9 t -116.23 34.07 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.859 0.318 . . . . 74.54 111.859 -168.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -67.0 -28.86 68.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.812 0.339 . . . . 64.11 110.671 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.55 -1.48 34.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.474 -0.33 . . . . 65.1 111.331 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.79 108.24 0.17 Allowed Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.089 -0.577 . . . . 44.31 112.418 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.631 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 26.7 p -129.6 -78.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.767 -0.255 . . . . 53.52 110.702 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . 176.01 141.2 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.648 0.379 . . . . 71.11 110.503 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -169.85 158.65 7.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.721 -0.474 . . . . 73.35 109.721 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -138.85 146.86 41.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.529 0.204 . . . . 75.23 111.034 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 50' ' ' VAL . 47.3 t -120.44 121.04 64.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.355 -0.384 . . . . 63.43 110.828 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 HG13 ' A' ' 13' ' ' ILE . 10.4 mp -109.38 130.54 55.49 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.805 0.442 . . . . 75.5 110.756 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -107.88 128.79 54.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 73.34 109.92 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 47' ' ' ASP . 46.4 ttp180 -77.45 128.84 34.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.977 -0.379 . . . . 71.15 109.977 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 102' ' ' LYS . 20.0 mm -83.31 158.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 71.54 110.387 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -79.6 -1.14 36.66 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.234 -0.439 . . . . 71.33 111.519 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HG2' ' CG2' ' A' ' 100' ' ' ILE . 13.8 ptmm? -108.23 161.14 15.27 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.877 -0.416 . . . . 71.54 109.877 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 2.3 tm? . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.473 -0.936 . . . . 73.22 108.473 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.824 -0.51 . . . . 55.03 111.824 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.75 -50.28 74.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.804 0.335 . . . . 62.43 110.444 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 22' ' ' LEU . 60.1 mt -127.59 101.15 6.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 72.12 110.121 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.15 140.19 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.432 -0.804 . . . . 73.21 110.306 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.57 HG13 HD21 ' A' ' 97' ' ' LEU . 31.2 mm -122.18 110.67 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.366 -0.605 . . . . 64.44 109.366 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.47 115.61 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.311 . . . . 74.41 110.321 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.629 HG12 ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -150.53 135.65 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.346 -0.388 . . . . 70.24 110.936 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.629 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.1 mm-40 56.88 35.63 26.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.094 0.473 . . . . 73.34 110.835 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 59.66 17.01 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.589 -0.732 . . . . 64.53 111.559 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.05 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.902 -0.777 . . . . 63.02 108.902 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 103' ' ' LEU . 38.9 tt0 -104.78 132.98 50.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.051 -0.352 . . . . 72.13 110.051 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 97.6 m-85 -133.72 164.58 26.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.182 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HG2' HD11 ' A' ' 100' ' ' ILE . 6.8 pt-20 -133.46 148.2 51.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.152 -0.684 . . . . 72.02 109.152 169.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 11' ' ' ILE . 47.3 tp -77.28 100.34 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 62.32 109.737 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.71 -21.59 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.52 -0.309 . . . . 75.3 111.244 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 21.8 t-80 -150.94 133.53 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.952 -0.388 . . . . 74.22 109.952 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.2 t30 -141.76 126.52 18.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.225 -0.657 . . . . 74.44 109.225 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 41.9 t80 -118.62 128.15 54.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 73.43 110.299 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 8.7 mmpt? 60.58 21.48 11.3 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.746 0.654 . . . . 61.14 110.36 178.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.4 m-20 54.06 32.55 15.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.4 -0.818 . . . . 74.33 111.175 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.09 -7.71 63.33 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 116.005 -0.543 . . . . 54.2 112.924 -177.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -69.54 92.39 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.268 0.556 . . . . 73.4 111.096 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -94.92 106.89 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.928 -0.767 . . . . 65.11 108.928 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.8 -46.85 74.56 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.431 -0.35 . . . . 70.52 111.523 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.01 -42.13 97.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.804 -0.18 . . . . 70.05 110.687 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.49 94.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.936 0.398 . . . . 63.03 110.268 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -56.7 -58.8 6.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.695 -0.684 . . . . 75.33 110.643 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 15' ' ' ILE . 13.4 ptmm? -68.91 -20.91 64.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.728 -0.669 . . . . 72.22 111.625 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.33 -16.55 45.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.44 -0.345 . . . . 71.43 111.218 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -111.68 -14.75 13.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.75 0.309 . . . . 73.54 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.56 158.71 26.35 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.043 -0.526 . . . . 61.25 110.901 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.6 t -154.66 167.51 29.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.2 -0.455 . . . . 70.44 109.85 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.2 -52.05 66.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.071 0.548 . . . . 53.35 112.476 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.72 -29.5 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 112.344 0.498 . . . . 61.43 112.344 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.46 -25.42 68.0 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.687 0.28 . . . . 75.11 111.406 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.18 -25.83 68.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.429 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -70.32 -16.78 63.04 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.299 -0.41 . . . . 74.14 111.759 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 71.7 m-85 -84.25 -31.14 25.15 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.61 0.226 . . . . 73.33 111.61 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 99' ' ' ARG . 2.4 m-20 66.18 0.96 1.81 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.993 0.517 . . . . 74.43 111.974 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.89 118.46 10.97 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.156 0.582 . . . . 62.11 109.672 177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.6 mm -118.81 118.18 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 55.02 110.083 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 96' ' ' VAL . 57.3 t -114.75 114.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 75.41 109.659 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.39 120.23 6.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.67 -0.776 . . . . 60.34 111.638 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.75 131.8 52.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.291 -0.263 . . . . 72.01 110.291 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.06 -37.89 37.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.602 -0.888 . . . . 73.12 108.602 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.04 -87.01 0.01 OUTLIER Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.341 -0.845 . . . . 43.43 112.859 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -104.07 -26.76 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.821 0.344 . . . . 74.45 110.337 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.49 -28.0 0.49 Allowed Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.839 -0.619 . . . . 51.24 111.592 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.83 101.82 11.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 74.12 110.483 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.87 117.14 8.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.844 -0.617 . . . . 73.11 110.093 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -129.7 145.06 51.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.545 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.11 118.97 37.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.227 -0.442 . . . . 45.44 110.633 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -106.41 135.45 47.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.55 -0.75 . . . . 70.53 109.42 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.64 146.12 17.97 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.792 -0.718 . . . . 62.44 112.191 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.501 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 71.8 m-85 -141.57 163.69 32.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.521 -0.548 . . . . 63.31 109.521 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.62 163.89 12.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.986 -0.376 . . . . 70.04 109.986 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.84 119.72 12.99 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.291 -0.633 . . . . 73.35 109.291 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.518 ' HB2' HG23 ' A' ' 77' ' ' ILE . 35.2 t70 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.742 -0.663 . . . . 72.34 110.901 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.068 0.461 . . . . 72.4 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.5 102.68 10.77 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.13 -0.486 . . . . 73.11 111.096 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 66' ' ' ASP . 69.7 mt -82.51 133.87 28.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.145 -0.48 . . . . 72.41 109.932 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -55.92 5.31 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.565 -0.289 . . . . 72.41 111.148 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -60.2 -21.43 61.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.851 0.358 . . . . 73.41 111.219 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' H ' HG22 ' A' ' 77' ' ' ILE . 60.5 tp -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.126 -0.488 . . . . 72.45 110.702 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.92 -47.41 85.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.388 0.613 . . . . 71.33 110.267 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -71.1 -31.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.078 -0.965 . . . . 71.34 110.838 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.11 -52.87 52.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 72.45 110.615 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.83 -38.32 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.368 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.605 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 50.8 t80 -50.49 -46.29 56.88 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.779 -0.646 . . . . 74.03 111.244 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.72 -28.79 69.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.38 -0.373 . . . . 63.32 111.727 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -118.0 -94.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.251 0.463 . . . . 71.43 112.251 -172.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.0 t -95.29 49.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 72.12 111.187 -168.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 85' ' ' TYR . 10.0 p30 -69.24 -35.19 75.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.597 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -170.1 144.56 2.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.298 -0.41 . . . . 71.21 109.984 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 -5.42 44.68 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.44 -0.409 . . . . 75.05 112.337 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 p -148.79 -163.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.13 -0.693 . . . . 70.54 109.13 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . -133.08 154.55 50.46 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.78 0.324 . . . . 74.25 111.327 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -155.03 164.2 39.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.751 -0.659 . . . . 73.42 109.436 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.86 155.05 43.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.612 0.244 . . . . 74.54 111.071 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 36.1 t -132.07 125.56 54.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 116.02 -0.536 . . . . 54.32 109.961 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -119.1 144.46 46.6 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.068 -0.515 . . . . 74.32 109.899 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -115.7 142.82 46.24 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.974 -0.38 . . . . 73.43 109.974 174.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.568 ' HB2' ' HA ' ' A' ' 47' ' ' ASP . 1.4 tmt_? -79.31 108.2 12.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 70.33 110.292 -176.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 21' ' ' GLU . 39.8 mm -75.75 135.38 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.731 -0.47 . . . . 75.34 109.731 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.66 77.37 8.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.452 0.538 . . . . 60.15 112.452 -169.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 78.0 tttt -174.81 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.835 -0.62 . . . . 70.03 111.243 168.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 19' ' ' GLU . 3.3 tm? . . . . . 0 N--CA 1.471 0.598 0 O-C-N 124.148 0.905 . . . . 71.52 109.552 -171.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 111.758 -0.537 . . . . 72.31 111.758 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' HG2' HG13 ' A' ' 11' ' ' ILE . 37.0 tt0 -167.49 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.132 -0.692 . . . . 60.02 109.132 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 22' ' ' LEU . 62.4 mt -125.34 112.39 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 73.44 109.29 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.36 131.13 54.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 64.54 110.266 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 97' ' ' LEU . 25.2 mm -117.57 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 52.03 110.247 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.78 115.1 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 62.33 110.108 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 16' ' ' GLN . 9.3 tt -150.47 139.67 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.41 -0.359 . . . . 61.14 110.781 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.8 mm100 55.27 40.01 31.47 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.402 0.439 . . . . 74.22 111.609 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 64.11 15.62 9.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.904 -0.589 . . . . 74.31 110.88 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.16 126.8 55.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 61.14 109.71 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.657 ' H ' ' NH1' ' A' ' 99' ' ' ARG . 43.1 tt0 -104.12 128.13 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.065 -0.516 . . . . 74.43 110.038 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' LYS . 96.7 m-85 -131.85 161.9 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 74.52 110.714 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -129.86 135.32 48.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.28 -0.637 . . . . 75.21 109.28 170.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 11' ' ' ILE . 64.1 tp -73.86 100.49 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.703 -0.48 . . . . 63.12 109.703 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.91 -26.42 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.044 -0.525 . . . . 64.01 111.97 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -146.84 135.11 21.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 75.22 110.999 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -130.73 141.54 50.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.985 -0.746 . . . . 61.42 108.985 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -132.85 115.61 15.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.865 -0.42 . . . . 73.11 109.865 -176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 59.87 28.28 17.75 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.486 0.491 . . . . 74.12 111.083 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.0 t70 58.34 31.91 21.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.751 -0.659 . . . . 64.21 110.76 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.1 -4.76 30.25 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.795 -0.639 . . . . 74.25 113.061 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -72.84 113.1 9.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 75.44 110.944 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -135.91 102.17 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.605 -0.887 . . . . 53.42 108.605 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.05 -41.88 88.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.956 -0.565 . . . . 71.33 112.064 -168.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -55.15 -41.77 72.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.962 0.411 . . . . 71.02 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.58 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.548 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.35 -59.54 4.56 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.949 -0.569 . . . . 75.11 110.643 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -61.1 -30.31 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 74.1 111.249 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.7 76.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.255 -0.429 . . . . 74.42 110.995 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -103.05 5.79 38.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.348 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 60' ' ' LEU . 72.9 t80 -78.99 151.75 31.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.265 0.555 . . . . 72.41 111.17 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -142.13 147.23 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.424 -0.807 . . . . 55.24 109.398 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.99 -27.58 68.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.07 0.462 . . . . 75.05 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.67 -25.44 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.984 -0.553 . . . . 65.52 111.071 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' A' ' 49' ' ' ILE . 90.7 mt -71.24 -22.88 61.93 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.744 -174.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.24 -21.95 50.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.025 0.44 . . . . 72.11 111.015 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -63.71 -31.91 73.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.481 -0.781 . . . . 75.12 112.365 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.9 m-85 -86.42 -23.49 26.05 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.82 0.674 . . . . 62.22 112.82 -167.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 70.73 -0.69 2.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.269 0.627 . . . . 64.11 112.05 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -148.31 119.56 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.749 0.309 . . . . 73.54 110.385 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 43' ' ' LEU . 23.9 mm -115.95 116.21 51.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.028 -0.533 . . . . 70.01 110.037 -178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 96' ' ' VAL . 60.3 t -113.92 113.66 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.539 -0.301 . . . . 51.13 110.209 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.552 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.91 121.66 7.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.88 -0.676 . . . . 51.43 111.798 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.25 155.71 21.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.011 0.434 . . . . 75.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.51 38.75 2.37 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.597 -0.728 . . . . 71.22 110.276 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.63 -62.73 5.91 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.978 -0.556 . . . . 72.15 112.806 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -80.63 -39.24 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 75.02 110.268 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.94 -49.61 0.72 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.328 -1.109 . . . . 64.12 110.328 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.99 116.63 5.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.939 -0.763 . . . . 71.32 108.939 170.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.2 109.58 0.69 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 53.21 109.311 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 92.8 mtt180 -101.09 130.15 47.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.26 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 39' ' ' TYR . 88.7 mt -97.56 109.72 22.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 72.21 110.14 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.2 tmtt? -97.43 127.94 43.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.734 -0.839 . . . . 65.31 108.734 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.563 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -91.14 123.37 7.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.207 -0.52 . . . . 52.23 112.141 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 88.2 m-85 -116.13 156.13 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.638 0.256 . . . . 72.34 110.452 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -102.82 159.29 15.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.122 -0.695 . . . . 75.45 109.122 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.92 130.99 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.766 0.317 . . . . 74.43 110.809 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 109.772 -0.455 . . . . 72.34 109.772 175.662 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.141 0.496 . . . . 71.24 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -102.13 109.63 21.38 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.891 -0.595 . . . . 72.22 111.132 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.07 116.94 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.575 -0.898 . . . . 63.43 108.575 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 t -65.75 -52.83 47.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 72.32 110.967 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -63.92 -24.31 67.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 71.02 110.845 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.8 tp -63.73 -47.47 80.93 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.292 -0.413 . . . . 63.41 110.777 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.7 -41.69 70.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.296 0.57 . . . . 72.04 109.964 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.11 -49.03 66.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.3 -0.864 . . . . 70.42 109.914 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -51.74 -42.18 62.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.96 -1.018 . . . . 73.33 111.389 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -63.06 -45.95 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 71.34 110.888 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.26 -25.44 68.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.892 0.377 . . . . 74.33 110.931 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.33 -62.2 1.52 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 75.54 110.465 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -80.83 -53.73 6.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.631 -0.713 . . . . 72.33 111.693 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.86 78.05 1.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 54.14 111.01 -173.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.02 -42.91 7.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.642 -0.708 . . . . 60.42 110.162 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -89.48 -173.81 4.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.47 -0.786 . . . . 72.03 109.512 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.12 82.38 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.443 -0.408 . . . . 70.42 113.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.1 -172.88 2.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.904 0.482 . . . . 72.45 109.943 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.92 44.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.683 0.278 . . . . 75.32 111.744 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -165.38 177.67 7.36 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.599 -0.728 . . . . 64.42 109.699 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -155.1 155.86 34.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.45 -0.341 . . . . 71.15 110.359 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 50' ' ' VAL . 40.3 t -128.08 125.86 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 123.256 0.348 . . . . 70.12 111.074 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -109.48 145.87 35.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.334 -0.394 . . . . 72.22 110.668 176.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 84.0 tttt -116.59 129.14 56.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.794 -0.639 . . . . 52.12 110.415 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.657 ' NH1' ' H ' ' A' ' 19' ' ' GLU . 12.7 tpt85 -76.68 111.46 12.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.071 0.463 . . . . 53.51 111.66 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.411 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 26.1 mm -90.37 112.88 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.653 -0.869 . . . . 64.03 108.653 172.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -78.62 61.34 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 73.12 112.018 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -131.24 -69.57 0.62 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.943 -0.572 . . . . 73.04 109.765 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? . . . . . 0 N--CA 1.468 0.474 0 O-C-N 123.599 0.562 . . . . 71.0 110.434 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 110.639 -0.985 . . . . 74.25 110.639 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -162.75 -63.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.049 0.425 . . . . 61.35 110.175 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -118.67 93.55 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 72.02 110.554 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -106.64 124.75 50.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 74.43 110.165 178.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm -105.03 100.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.478 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -90.66 110.85 22.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.83 -0.433 . . . . 62.54 109.83 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -133.11 114.02 20.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.962 0.411 . . . . 72.31 111.318 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 53.73 57.03 6.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.586 -0.734 . . . . 72.44 111.294 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 66.71 2.45 2.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.541 -0.754 . . . . 61.03 112.325 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.51 108.44 19.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 73.41 109.9 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.8 119.4 31.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.92 0.39 . . . . 72.52 110.379 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.78 172.06 7.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.08 -0.711 . . . . 73.14 109.08 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -140.62 150.62 43.81 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.818 -0.438 . . . . 73.14 109.818 168.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 52.8 tp -77.49 100.2 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.927 -0.579 . . . . 64.23 109.621 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' THR . 32.7 m -90.49 -17.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 73.12 111.038 -177.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 32.2 t60 -156.7 133.44 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 63.13 110.471 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.47 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.3 t30 -140.69 135.51 31.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.34 -0.615 . . . . 74.05 109.34 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -124.15 116.3 22.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.445 -0.205 . . . . 72.12 110.445 -173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 57.97 25.92 12.8 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.153 0.502 . . . . 62.21 110.286 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 25' ' ' ASN . 3.4 m-20 51.57 44.81 28.87 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.083 -0.962 . . . . 74.53 111.108 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.91 -12.41 62.36 Favored Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.667 -0.697 . . . . 72.23 111.817 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 79.7 t80 -62.38 99.75 0.15 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.89 0.376 . . . . 75.14 111.166 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -110.24 101.6 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.58 -0.896 . . . . 73.12 108.58 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.31 -45.25 94.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.661 -0.245 . . . . 70.13 110.706 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.09 -36.53 68.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.198 -0.456 . . . . 73.45 111.044 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -77.0 -42.1 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.341 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.22 -57.14 13.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.938 -0.574 . . . . 62.51 110.961 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -65.34 -17.73 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.686 . . . . 71.54 110.984 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.05 -26.3 31.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 19.8 mmt180 -101.24 -8.1 22.47 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.694 0.257 . . . . 71.44 111.694 -176.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.04 140.97 57.72 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.663 -0.244 . . . . 75.15 110.85 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.406 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 t -141.46 163.67 32.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.017 -0.538 . . . . 54.14 109.854 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.89 -49.24 76.15 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.311 -0.404 . . . . 52.11 111.3 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 5.7 tp -51.43 -34.22 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.031 -0.532 . . . . 72.11 112.089 -176.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 49' ' ' ILE . 81.0 mt -64.98 -27.58 68.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 75.11 111.752 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.18 -32.12 73.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.507 0.558 . . . . 65.2 112.507 -172.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.0 ptpp? -78.91 -12.12 60.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.995 0.368 . . . . 71.15 111.995 -175.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.478 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 81.7 m-85 -80.85 -40.82 24.2 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.902 0.382 . . . . 72.51 110.454 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 70.3 m-20 71.36 2.96 4.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.242 -0.89 . . . . 71.13 111.751 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 65' ' ' ASP . 46.9 m-85 -132.44 114.8 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.204 -0.665 . . . . 72.5 109.204 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.4 mm -116.2 114.0 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.694 -0.484 . . . . 63.35 109.694 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 96' ' ' VAL . 62.0 t -111.95 108.42 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.289 -0.414 . . . . 74.33 109.9 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -93.99 120.23 6.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.559 -0.829 . . . . 63.33 111.427 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.4 146.52 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 72.12 110.373 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.402 ' CZ2' HD12 ' A' ' 58' ' ' LEU . 69.7 m95 -97.44 35.74 1.59 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 61.41 109.959 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -63.1 133.29 42.98 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.729 -0.669 . . . . 60.55 111.991 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 74.3 t80 74.54 -59.72 0.54 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.953 0.501 . . . . 73.23 110.458 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.86 -33.18 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.215 -0.517 . . . . 63.41 112.298 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.82 137.78 32.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.306 . . . . 52.33 110.681 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.402 HD12 ' CZ2' ' A' ' 53' ' ' TRP . 6.2 tt -75.45 108.55 8.33 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.312 -0.625 . . . . 65.32 109.312 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.532 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 41.1 ttm180 -99.98 129.2 46.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 74.21 110.615 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt -94.96 103.33 15.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.76 -0.459 . . . . 54.24 109.76 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.35 122.7 40.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.752 -0.658 . . . . 74.35 109.966 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.09 140.93 15.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.192 -0.528 . . . . 73.1 111.817 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -131.04 163.47 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 73.12 111.231 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -104.5 138.24 41.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.67 -0.863 . . . . 72.52 108.67 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 44.1 t0 -68.78 144.5 54.32 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.209 0.318 . . . . 74.35 111.003 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.145 -0.317 . . . . 72.2 110.145 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 23' ' ' VAL . 23.2 p . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.799 0.333 . . . . 72.33 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -136.05 117.85 15.11 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.349 -0.387 . . . . 75.21 110.499 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 64.2 mt -124.64 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 53.11 109.194 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 t -67.97 -49.55 61.02 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.568 0.223 . . . . 75.13 110.859 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.2 t -60.93 -27.87 68.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.202 0.525 . . . . 64.12 110.241 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 50' ' ' VAL . 40.3 tp -77.61 -41.13 39.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.954 -0.566 . . . . 54.14 110.309 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.27 -38.7 71.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.644 -0.707 . . . . 63.15 110.285 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.04 -40.38 60.43 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.785 -0.643 . . . . 64.54 110.538 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.39 -41.89 85.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.755 -0.657 . . . . 71.14 111.352 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.57 -38.03 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 74.35 110.706 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -61.99 -26.45 68.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.767 -0.651 . . . . 75.33 110.759 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.85 -43.02 89.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 74.33 111.65 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -100.06 -47.39 5.01 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.989 0.423 . . . . 72.11 111.885 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 33.9 t -76.65 85.5 3.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.303 0.573 . . . . 61.11 111.818 -168.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -92.43 -57.47 2.68 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.881 -0.785 . . . . 64.01 108.881 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -164.1 143.98 8.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.344 -0.844 . . . . 73.35 109.345 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.94 79.89 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.495 -0.642 . . . . 64.43 111.495 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -84.79 161.55 19.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 72.31 111.204 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.59 142.73 15.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.633 -0.712 . . . . 64.12 109.554 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -165.38 175.46 9.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.678 0.275 . . . . 71.05 110.584 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 36.7 p90 -151.93 144.91 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 74.43 110.54 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.483 HG13 HG22 ' A' ' 50' ' ' VAL . 42.7 t -121.19 117.4 52.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 116.589 -0.278 . . . . 65.11 110.768 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.1 128.38 53.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.237 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -108.59 138.18 45.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 73.23 110.403 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.6 135.26 51.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 64.43 110.854 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 21' ' ' GLU . 31.7 mm -105.29 140.82 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.895 -0.78 . . . . 64.41 108.895 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 102' ' ' LYS . 93.1 mtt180 -81.25 72.05 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 73.13 112.117 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER 173.31 179.76 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.939 -1.028 . . . . 74.21 108.664 168.552 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.173 -1.047 . . . . 74.15 108.173 173.694 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 111.564 -0.614 . . . . 64.43 111.564 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' ILE . 39.2 tt0 -140.44 -53.29 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.103 0.451 . . . . 70.34 110.47 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.475 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.4 mt -131.08 101.25 5.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.07 0.462 . . . . 53.52 110.192 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.61 115.62 30.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.434 -0.803 . . . . 73.41 110.166 -178.359 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.501 HG13 HD21 ' A' ' 97' ' ' LEU . 36.4 mm -104.35 107.56 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 63.13 110.755 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.36 116.78 29.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.5 tt -150.41 144.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 74.43 111.23 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.597 ' HG2' HG12 ' A' ' 15' ' ' ILE . 30.3 mm-40 51.16 36.93 16.94 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.119 0.568 . . . . 72.34 111.925 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 62.0 38.61 14.05 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.811 -0.631 . . . . 73.05 111.059 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.01 137.44 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.774 -0.648 . . . . 73.43 109.36 173.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.03 127.63 50.21 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.879 0.371 . . . . 60.31 110.247 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -119.63 162.68 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 72.23 109.646 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -135.84 146.1 47.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.911 -0.403 . . . . 74.44 109.911 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 11' ' ' ILE . 61.6 tp -74.17 111.49 9.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.869 -0.419 . . . . 72.54 109.869 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.56 -9.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 61.44 111.726 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -168.47 137.52 2.31 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.289 -0.164 . . . . 74.03 111.155 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.474 HD22 ' HB3' ' A' ' 95' ' ' PHE . 24.0 t-20 -144.16 153.08 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 62.51 110.456 176.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 17.6 t80 -136.12 133.51 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.22 109.905 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 10.8 mmpt? 58.41 26.28 13.93 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.753 0.658 . . . . 75.31 111.585 175.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 61.4 27.8 17.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.09 -0.505 . . . . 54.11 110.983 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.61 3.95 5.76 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 116.168 -0.469 . . . . 73.52 113.921 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -83.26 112.13 19.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.459 0.63 . . . . 71.32 110.431 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -130.38 98.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.822 -0.807 . . . . 73.34 108.822 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 23.1 tt0 -54.9 -45.24 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.336 -0.393 . . . . 51.02 111.373 -172.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.2 -37.07 66.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.503 -0.317 . . . . 63.44 110.901 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -74.93 -45.69 40.83 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.18 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.62 -55.77 22.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 72.11 110.702 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.1 ptmt -68.62 -18.98 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 65.53 111.271 -175.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.07 -35.68 49.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 75.34 110.887 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 32.5 mmt180 -95.7 -19.48 19.66 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.143 -0.481 . . . . 74.03 111.113 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -67.13 147.41 53.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.449 -0.341 . . . . 73.53 110.905 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB3' HG22 ' A' ' 42' ' ' ILE . 46.4 t -148.1 168.51 22.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.049 -0.523 . . . . 71.32 110.185 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.6 -24.93 66.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 72.4 110.504 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 40' ' ' SER . 9.4 tp -61.35 -25.7 37.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 115.811 -0.631 . . . . 72.41 110.952 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 92.0 mt -93.36 -12.17 30.56 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.92 -0.582 . . . . 63.23 111.545 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -64.52 -21.74 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.399 -0.364 . . . . 74.13 111.75 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -80.16 -12.88 59.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.294 0.479 . . . . 70.15 112.294 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 71.0 m-85 -78.93 -34.57 44.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.934 0.346 . . . . 72.32 111.934 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.9 m-20 67.78 0.63 2.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.889 0.476 . . . . 73.14 111.365 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 40.3 m-85 -144.62 115.96 8.02 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.903 0.481 . . . . 74.22 109.777 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 42.9 mm -119.62 119.11 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.942 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.12 123.79 68.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 61.15 110.347 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -119.13 128.83 7.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.218 -0.515 . . . . 71.05 111.851 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . 10.0 t70 -126.54 146.14 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 71.34 109.713 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -85.27 -36.21 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 70.32 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.35 -82.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.579 0 C-N-CA 121.206 -0.521 . . . . 51.42 111.904 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -127.54 26.04 5.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.19 0.519 . . . . 74.24 109.927 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.78 2.04 46.15 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.796 -0.638 . . . . 75.21 111.966 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -92.04 76.14 5.46 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.624 -0.51 . . . . 75.13 109.624 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.54 97.44 0.59 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.305 0.574 . . . . 75.23 110.061 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -116.7 147.46 41.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 73.51 109.799 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.8 135.15 43.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.006 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -122.33 123.96 42.61 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.002 -0.74 . . . . 62.12 109.002 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.86 140.58 17.19 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.135 -0.555 . . . . 73.2 112.429 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.2 m-85 -139.53 163.31 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.675 -0.491 . . . . 71.52 109.675 176.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.95 159.61 18.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.464 -0.939 . . . . 75.43 108.464 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 5.2 p-10 -63.83 108.29 1.42 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.408 0.623 . . . . 72.33 110.237 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 5.3 t70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.837 . . . . 73.12 111.383 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.402 HG22 ' HE1' ' A' ' 48' ' ' TYR . 14.5 p . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 113.462 0.912 . . . . 70.41 113.462 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -78.94 70.14 5.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.532 0.682 . . . . 72.35 109.635 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 66.6 mt -71.69 113.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 65.31 110.888 -176.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -53.85 -56.65 15.7 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.47 -0.332 . . . . 74.44 111.854 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -56.6 -25.95 54.23 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.864 0.364 . . . . 71.22 111.127 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -77.14 -42.18 38.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.204 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.24 -42.05 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.204 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 43.9 mt-10 -61.89 -42.04 98.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.417 -0.81 . . . . 53.01 110.214 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -49.48 77.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.879 -0.6 . . . . 61.44 110.079 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -58.33 -38.11 67.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.709 . . . . 72.23 110.556 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.13 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 74.15 111.072 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mt-10 -73.76 -59.77 2.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.98 0.419 . . . . 75.02 111.207 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.22 -49.7 7.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 65.43 111.841 -170.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 48.9 t -80.06 74.21 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.307 0.575 . . . . 75.31 110.327 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -83.13 -53.75 5.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 74.44 110.163 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -164.25 148.16 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.671 -0.695 . . . . 63.32 109.299 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.19 71.45 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.942 -0.647 . . . . 32.45 112.401 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -92.09 163.93 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.548 0.339 . . . . 75.32 110.12 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -154.92 99.14 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.021 -0.363 . . . . 63.14 110.021 -176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 51.6 p90 -118.81 163.13 17.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.068 0.461 . . . . 70.12 111.196 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' ASN . 51.5 p90 -142.01 146.15 35.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.623 -0.717 . . . . 71.22 109.859 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.12 117.9 55.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.648 0.261 . . . . 74.45 110.456 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.501 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -103.84 132.27 50.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 72.25 110.282 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -107.43 128.74 54.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.428 -0.582 . . . . 73.13 109.428 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -78.64 126.74 31.16 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.338 -0.616 . . . . 71.34 109.338 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.06 -57.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.097 -0.501 . . . . 40.02 110.84 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG2' ' HG3' ' A' ' 102' ' ' LYS . 36.2 ttp-105 176.49 -53.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 73.03 109.62 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HG3' ' HG2' ' A' ' 101' ' ' ARG . 68.1 mttm -142.25 -167.46 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.342 -0.845 . . . . 73.42 109.536 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.511 -0.922 . . . . 64.42 108.511 174.831 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 110.549 -1.021 . . . . 74.31 110.549 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.39 -63.95 1.0 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.272 0.536 . . . . 74.53 110.016 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -136.54 87.65 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.749 -0.659 . . . . 71.14 109.47 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.42 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -84.4 122.44 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.346 -0.843 . . . . 71.55 110.167 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.543 HG13 HD21 ' A' ' 97' ' ' LEU . 36.1 mm -106.96 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.093 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 14' ' ' LEU . 7.1 mp -91.67 112.52 24.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.009 -0.367 . . . . 61.22 110.009 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.8 tt -143.97 139.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 72.12 110.063 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.549 ' HG2' HG12 ' A' ' 15' ' ' ILE . 29.1 mm-40 57.14 29.09 16.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.396 -0.365 . . . . 74.12 111.063 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 62.29 32.62 16.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.442 0.639 . . . . 74.43 110.918 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -130.67 126.63 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.284 -0.871 . . . . 61.5 108.854 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HB2' HD13 ' A' ' 103' ' ' LEU . 34.3 tt0 -90.83 130.48 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 64.43 110.092 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -121.72 171.64 8.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.534 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.1 pt-20 -145.25 147.81 32.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.881 0.372 . . . . 71.44 110.161 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.02 108.2 5.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 51.44 109.39 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 75' ' ' THR . 35.0 m -101.09 -25.48 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.107 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 20.0 t60 -147.84 132.86 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.617 -0.512 . . . . 64.03 109.617 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 28' ' ' ASP . 45.0 t30 -142.09 143.61 33.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.667 -0.494 . . . . 74.31 109.667 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 43.0 t80 -131.95 118.43 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 74.0 110.596 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 18.2 ttmm 64.69 23.69 12.81 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.154 -0.93 . . . . 73.33 110.652 172.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.461 ' HA ' HD21 ' A' ' 25' ' ' ASN . 35.1 m-20 61.73 29.39 18.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.237 -0.892 . . . . 71.53 110.657 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.65 -11.86 60.77 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.796 -0.638 . . . . 41.55 112.328 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.3 120.85 13.52 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.037 0.446 . . . . 71.24 111.154 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.688 HD21 ' HZ2' ' A' ' 53' ' ' TRP . 3.3 p30 -147.91 103.38 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 75.43 110.349 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 35' ' ' PHE . 35.0 tt0 -55.13 -37.61 67.14 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.911 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.01 -46.24 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.897 -0.592 . . . . 73.14 111.633 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.61 -37.95 41.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 63.34 110.418 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . 57.8 t80 -52.88 -61.41 2.31 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.151 -0.931 . . . . 73.21 111.194 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.8 -30.92 71.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.882 -0.599 . . . . 51.15 111.026 -175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.6 68.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.289 -0.414 . . . . 55.33 111.337 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 mmp_? -115.29 6.79 15.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.599 -0.273 . . . . 72.52 111.265 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -68.66 133.58 48.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.914 0.387 . . . . 74.2 110.936 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.9 t -123.01 149.75 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 75.24 109.882 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.98 -34.29 77.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.01 -0.541 . . . . 54.11 111.459 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 tp -56.32 -34.63 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.166 0.507 . . . . 74.44 110.677 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB3' HD12 ' A' ' 49' ' ' ILE . 77.9 mt -69.05 -32.67 72.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.775 -0.648 . . . . 72.12 111.11 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.02 -33.19 68.69 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.887 -0.597 . . . . 74.21 111.252 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 5.4 tmmm? -70.65 -22.65 62.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.654 -0.703 . . . . 72.43 111.62 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.2 m-85 -76.1 -22.16 55.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.581 0.229 . . . . 72.44 111.478 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 46.8 m-20 71.01 1.23 3.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.121 0.568 . . . . 74.45 111.631 -177.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -139.4 118.29 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 71.5 110.222 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.9 mm -110.82 113.88 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.386 -0.598 . . . . 74.42 109.386 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.08 113.93 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.878 -0.416 . . . . 71.32 109.878 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.71 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.973 -0.851 . . . . 73.13 110.973 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.98 154.6 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 73.3 110.227 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.688 ' HZ2' HD21 ' A' ' 31' ' ' ASN . 80.4 m95 -105.02 4.09 31.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.606 . . . . 72.23 110.169 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.99 -21.5 65.48 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.456 -0.402 . . . . 53.4 112.386 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.03 -13.02 43.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.665 0.386 . . . . 64.33 110.612 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.08 -46.42 1.17 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.635 -0.986 . . . . 51.1 110.635 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -115.99 171.49 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.894 -0.78 . . . . 61.03 108.894 172.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.66 101.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.245 -0.65 . . . . 65.22 109.245 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -111.4 137.99 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.864 -0.607 . . . . 72.51 110.812 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.56 133.1 49.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.117 -0.697 . . . . 52.21 109.117 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 4.4 tmtm? -127.42 132.62 50.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.698 -0.852 . . . . 71.23 108.698 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -98.38 131.75 10.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.289 -0.481 . . . . 74.51 112.157 -178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.4 m-85 -123.5 166.55 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.394 -0.595 . . . . 74.42 109.394 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.8 154.02 19.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.843 -0.428 . . . . 73.33 109.843 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.76 108.63 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.611 0.57 . . . . 54.24 109.603 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 16.5 t70 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.562 -0.745 . . . . 74.04 110.725 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.417 HG21 HG11 ' A' ' 23' ' ' VAL . 25.6 p . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.377 0.608 . . . . 64.3 111.077 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -140.44 138.14 34.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.593 -0.731 . . . . 72.32 109.525 176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 63.2 mt -125.73 116.32 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.624 -0.51 . . . . 50.55 109.624 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.1 t -57.23 -52.57 64.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 73.53 111.097 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -62.14 -22.96 66.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 62.42 110.926 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 84' ' ' ILE . 55.3 tp -74.74 -41.05 60.84 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.542 -0.299 . . . . 61.41 110.214 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.05 -36.64 65.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.506 0.67 . . . . 71.01 109.642 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.32 -40.46 44.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.205 -0.907 . . . . 63.44 110.293 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.01 -42.68 69.35 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.388 -0.823 . . . . 64.44 110.946 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 80' ' ' LEU . 48.5 mm -58.11 -42.75 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.929 -0.578 . . . . 65.14 110.807 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -62.51 -41.36 98.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.897 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.17 -42.59 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 54.11 111.165 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -97.18 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 65.54 112.292 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.2 t -74.23 -17.35 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 73.11 110.9 -173.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 47.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.059 0.763 . . . . 65.44 113.059 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.8 -10.77 59.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.876 0.37 . . . . 64.34 111.432 -169.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.06 55.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.413 -0.675 . . . . 60.04 111.413 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.749 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 22.5 p -62.84 -79.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.852 0.461 . . . . 65.32 111.35 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -179.48 142.23 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.888 -0.412 . . . . 53.13 109.888 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -167.3 168.22 13.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.374 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -147.58 148.65 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 71.23 110.252 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 48.6 t -125.88 123.44 64.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.83 0.348 . . . . 65.14 110.561 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.543 HD21 HG13 ' A' ' 13' ' ' ILE . 10.8 mp -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 45.14 110.119 176.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -107.73 139.32 42.47 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.914 -0.402 . . . . 73.53 109.914 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 100' ' ' ILE . 3.6 tmm_? -75.48 120.24 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.334 -0.617 . . . . 63.24 109.334 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.534 HD11 ' HG2' ' A' ' 21' ' ' GLU . 41.4 mm -71.28 150.02 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 72.22 110.901 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -41.47 -40.54 1.82 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 73.22 111.778 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -174.69 -178.35 1.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.925 -0.58 . . . . 72.54 109.488 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 19' ' ' GLU . 3.7 mm? . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.942 0.401 . . . . 74.43 110.644 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 111.031 -0.827 . . . . 31.21 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.72 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 74.25 109.858 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 22' ' ' LEU . 64.9 mt -128.01 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 73.21 109.498 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -90.13 119.83 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.577 -0.738 . . . . 64.41 110.661 -177.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -107.54 105.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 71.52 110.029 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.18 120.79 41.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.114 -0.328 . . . . 73.51 110.114 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.561 HG12 ' HG2' ' A' ' 16' ' ' GLN . 14.2 tt -147.43 142.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 74.42 110.107 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.3 mm100 56.51 24.39 8.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.645 0.378 . . . . 72.21 111.055 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' O ' HD21 ' A' ' 103' ' ' LEU . 20.3 m120 62.09 52.12 3.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.784 0.802 . . . . 75.31 109.957 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.96 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -1.218 . . . . 44.1 108.513 171.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 67.1 tt0 -90.77 114.72 27.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.44 -0.345 . . . . 71.23 110.842 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.52 171.2 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 75.21 109.702 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -142.31 150.59 41.01 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.974 -0.38 . . . . 74.23 109.974 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 11' ' ' ILE . 59.0 tp -77.66 109.3 11.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.604 -0.517 . . . . 74.55 109.604 176.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.03 -20.13 5.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.659 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.4 t60 -150.75 132.67 15.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.689 0.28 . . . . 75.43 110.737 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -132.95 146.44 51.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.756 -0.831 . . . . 74.23 108.756 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.55 114.86 11.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.514 -0.55 . . . . 72.25 109.514 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 60.18 28.19 17.74 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.475 0.484 . . . . 42.44 110.992 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 58.69 34.63 23.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.973 -0.558 . . . . 72.14 110.796 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -13.86 64.31 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.382 -0.826 . . . . 75.41 112.542 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.15 119.87 10.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.872 0.368 . . . . 71.05 110.541 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -138.2 107.79 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.989 -0.745 . . . . 71.04 108.989 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -69.19 -47.23 65.45 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.338 0.399 . . . . 74.14 111.651 -171.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.11 -44.64 96.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.617 0.246 . . . . 45.43 110.716 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.3 66.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 70.03 110.677 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.14 -60.65 3.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 74.34 110.401 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -69.18 -20.24 64.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 71.33 110.947 -175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.72 -29.14 62.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.4 . . . . 60.4 110.732 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -101.17 -9.99 20.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.395 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.494 ' HA ' HD23 ' A' ' 60' ' ' LEU . 68.6 t80 -66.44 124.8 23.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 73.42 111.066 -177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -119.68 152.6 36.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 72.42 109.119 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.853 0.316 . . . . 64.52 111.853 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 tp -57.76 -31.06 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.995 0.426 . . . . 52.35 111.145 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 86.8 mt -76.58 -15.63 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.314 -176.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.17 -22.84 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.85 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 19.1 ptpt -87.02 -4.4 59.17 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.706 0.261 . . . . 74.24 111.706 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.627 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 79.6 m-85 -88.31 -39.1 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.688 0.28 . . . . 74.54 110.755 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 73.01 1.69 4.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.666 -0.697 . . . . 63.22 111.627 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -136.56 115.88 12.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 72.42 109.062 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 43' ' ' LEU . 15.5 mm -115.35 121.27 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 74.51 110.293 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.22 120.67 59.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.134 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.17 121.7 6.98 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.831 -0.699 . . . . 42.51 111.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -109.73 135.81 50.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.894 0.378 . . . . 71.44 110.592 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.68 34.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.971 0.415 . . . . 73.44 110.302 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.74 91.95 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.741 -0.663 . . . . 72.34 113.419 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -129.43 83.5 2.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.176 0.488 . . . . 63.21 110.761 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.92 -91.76 0.05 OUTLIER Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.714 -0.675 . . . . 73.13 113.079 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -78.42 140.41 38.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.298 -0.63 . . . . 74.53 109.298 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.44 133.52 55.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.509 0.671 . . . . 73.14 110.856 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -94.38 129.32 41.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.996 -1.002 . . . . 63.03 108.352 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 39' ' ' TYR . 11.6 tp -101.43 109.43 21.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 73.02 110.191 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -105.73 158.73 16.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.341 -0.845 . . . . 52.22 109.715 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.84 146.37 16.92 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.665 -0.574 . . . . 62.15 111.665 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.73 167.07 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.787 -0.449 . . . . 74.52 109.787 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -105.51 170.06 8.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.335 . . . . 75.03 110.382 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.71 132.32 51.68 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.31 -0.405 . . . . 72.45 110.471 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 77' ' ' ILE . 35.3 t70 . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 109.378 -0.601 . . . . 64.22 109.378 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.913 0.387 . . . . 72.31 111.906 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.12 148.36 52.48 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.567 -0.288 . . . . 73.52 110.578 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 66' ' ' ASP . 74.6 mt -141.23 131.5 26.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.698 -0.482 . . . . 73.54 109.698 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -63.27 -57.28 10.96 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.562 -0.29 . . . . 70.14 111.158 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -58.08 -24.82 60.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.011 0.434 . . . . 52.42 110.986 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 84' ' ' ILE . 30.5 tp -70.88 -49.52 45.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.081 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.83 -39.12 65.28 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.012 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.61 -47.91 74.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.34 -0.846 . . . . 75.25 110.713 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -60.29 -36.25 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.692 -0.685 . . . . 74.14 110.949 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -63.73 -41.44 92.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.493 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.96 -27.23 63.24 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.365 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -77.1 -16.8 59.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.326 . . . . 71.35 111.347 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -132.76 -76.37 0.49 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.136 0.421 . . . . 72.33 112.136 -174.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.827 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 85.3 m -87.03 97.96 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 71.01 112.145 -171.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.56 -35.67 3.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.715 -0.675 . . . . 72.4 109.605 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -139.08 115.26 10.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.385 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.67 -42.86 2.29 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.534 -0.365 . . . . 70.43 113.031 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.827 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 51.5 t -56.1 129.77 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.153 0.581 . . . . 62.22 110.307 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 162.84 15.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 53.01 110.961 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -163.98 176.36 9.46 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.401 -0.363 . . . . 75.45 110.671 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.7 151.87 34.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.483 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 61.7 t -127.22 122.84 60.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 120.71 0.291 . . . . 74.4 111.126 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.66 135.49 48.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.956 -0.565 . . . . 75.45 110.432 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -109.49 141.45 41.92 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.273 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 37.8 tpt85 -75.93 128.37 34.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 72.4 111.087 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 102' ' ' LYS . 45.8 mm -78.34 154.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 73.03 109.857 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.67 -7.2 53.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.95 0.405 . . . . 74.44 111.107 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.693 ' H ' HG22 ' A' ' 100' ' ' ILE . 1.7 mmpt? -106.02 -167.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.312 0.577 . . . . 74.14 111.308 -177.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.579 HD21 ' O ' ' A' ' 17' ' ' ASN . 2.4 tm? . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.646 -1.242 . . . . 74.4 107.646 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 111.084 -0.806 . . . . 64.52 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.27 -63.51 1.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.887 0.375 . . . . 73.41 110.455 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 22' ' ' LEU . 63.7 mt -135.44 86.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.196 -0.668 . . . . 63.25 109.196 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.12 132.13 36.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.353 -0.84 . . . . 74.42 110.729 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 97' ' ' LEU . 29.8 mm -120.2 98.98 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 74.11 109.222 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -100.94 111.87 24.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.238 -0.437 . . . . 73.54 109.915 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.1 tt -141.21 130.04 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.331 -0.395 . . . . 63.13 110.876 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.603 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.3 mm-40 54.42 44.3 29.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.102 -0.499 . . . . 55.34 111.579 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 65.98 18.92 11.18 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.011 -0.54 . . . . 63.0 111.783 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.38 122.49 46.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.024 -0.362 . . . . 55.12 110.024 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.98 113.53 27.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 74.53 110.881 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.48 172.47 7.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.761 -0.654 . . . . 71.24 109.482 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 7.6 pt-20 -148.58 152.78 37.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.018 -0.364 . . . . 71.41 110.018 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 11' ' ' ILE . 60.7 tp -75.69 106.71 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.41 110.247 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.0 -17.69 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.4 -0.364 . . . . 72.32 111.395 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -158.85 133.74 8.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.601 -0.272 . . . . 72.24 110.838 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -131.98 151.22 51.86 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.366 -0.605 . . . . 60.3 109.366 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -137.86 121.7 17.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.207 -0.664 . . . . 75.2 109.207 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 11.4 ttmm 61.02 24.12 14.24 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.842 0.714 . . . . 65.12 110.409 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 t70 58.04 34.97 24.8 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.012 -0.994 . . . . 65.03 110.438 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.82 -13.67 61.79 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.687 -0.688 . . . . 75.45 112.679 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -64.6 120.3 12.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 73.21 111.23 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -138.62 104.47 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.964 -0.754 . . . . 74.34 108.964 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.75 -48.21 59.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.303 0.377 . . . . 73.12 110.899 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -57.14 -40.91 78.12 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.886 -0.597 . . . . 74.2 111.122 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.64 68.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.412 -0.358 . . . . 64.31 110.459 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.86 -56.87 16.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 73.13 110.52 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.66 -19.41 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 72.11 111.159 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.24 52.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 72.42 110.604 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 11.8 mmp_? -94.24 -8.29 39.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.22 -0.445 . . . . 64.45 111.238 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -64.21 150.9 44.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.247 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -153.18 165.0 37.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.124 -0.489 . . . . 64.31 109.825 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.78 -35.11 79.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.445 -0.343 . . . . 61.32 111.571 -174.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.437 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.1 tp -54.19 -33.28 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.024 0.44 . . . . 74.43 111.088 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 94.8 mt -65.96 -20.38 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.128 -0.487 . . . . 75.25 111.701 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.56 -25.39 68.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.363 -0.381 . . . . 74.31 111.749 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -75.19 -12.89 60.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.668 0.271 . . . . 74.12 111.301 -176.4 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.405 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 94.9 m-85 -91.18 -47.3 7.6 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.431 -0.349 . . . . 73.33 110.345 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 71.09 1.47 3.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.396 -0.82 . . . . 72.51 111.316 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -134.43 114.51 12.97 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.827 -0.805 . . . . 73.32 108.827 173.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 29.2 mm -118.2 119.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.09 -0.337 . . . . 60.13 110.09 -176.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 45.9 t -117.19 107.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.271 -0.422 . . . . 61.23 110.286 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -89.7 121.62 6.19 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.232 -0.747 . . . . 74.52 111.232 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.72 159.07 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 71.3 111.052 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . 70.7 m95 -123.49 30.98 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.059 -0.973 . . . . 74.12 108.756 175.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.15 -54.24 2.05 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.545 -0.752 . . . . 21.12 114.642 -170.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -124.05 37.6 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.043 0.449 . . . . 63.43 110.728 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.72 21.59 63.51 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.976 -0.556 . . . . 55.44 111.931 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -120.95 114.52 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.831 -0.433 . . . . 55.21 109.831 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.435 HD23 ' NE1' ' A' ' 53' ' ' TRP . 3.2 tm? -83.24 106.01 14.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.383 -0.599 . . . . 64.43 109.383 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 17.1 mtp180 -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 63.41 110.16 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -97.91 114.78 26.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 74.32 110.465 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -103.21 129.26 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 72.54 109.445 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.18 145.01 17.39 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 121.071 -0.585 . . . . 75.34 112.629 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -139.8 169.74 17.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.886 0.374 . . . . 53.41 110.566 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.72 155.25 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.93 -0.766 . . . . 73.52 108.93 175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.83 108.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.162 0.506 . . . . 63.44 110.357 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 109.182 -0.673 . . . . 73.42 109.182 175.414 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.1 p . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.849 0.357 . . . . 62.13 110.668 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.28 85.55 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.329 0.585 . . . . 71.33 110.777 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 71.6 mt -75.42 125.36 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.736 -0.665 . . . . 73.25 109.788 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -63.66 -40.61 97.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 53.14 110.183 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -37.34 67.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.674 -0.694 . . . . 65.14 110.487 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 84' ' ' ILE . 35.5 tp -67.44 -42.3 83.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 74.02 110.269 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.96 -27.4 69.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.631 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 44.1 mt-10 -68.97 -42.8 76.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.165 0.507 . . . . 71.23 109.694 174.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.62 -43.29 97.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.45 -0.795 . . . . 73.42 110.027 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -65.92 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.546 -0.752 . . . . 72.32 110.273 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' GLU . 12.2 t80 -55.63 -38.97 70.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.668 -0.696 . . . . 73.32 111.135 177.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -43.36 79.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.51 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.09 -56.62 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 70.41 111.829 -175.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.0 m -74.38 91.41 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 61.14 112.454 -171.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.09 -32.04 11.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.849 -0.797 . . . . 71.24 108.849 167.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -162.22 -66.69 0.05 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.439 -0.8 . . . . 71.13 110.363 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.4 103.14 3.01 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.344 -0.455 . . . . 61.02 112.389 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.66 179.74 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.963 -0.384 . . . . 64.14 109.963 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 53' ' ' TRP . . . -162.38 149.69 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.476 -0.564 . . . . 74.14 109.476 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.88 165.84 7.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.636 0.255 . . . . 75.44 110.712 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 46.8 p90 -143.6 140.87 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.326 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.46 119.38 61.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.624 0.249 . . . . 61.41 110.972 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 13' ' ' ILE . 9.6 mp -104.94 131.48 52.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.063 174.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.86 139.5 49.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 72.1 110.695 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -65.39 140.55 58.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 72.21 110.168 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 101' ' ' ARG . 44.5 mm -97.82 -82.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.623 0.231 . . . . 41.32 111.623 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.497 ' HG2' HG22 ' A' ' 100' ' ' ILE . 5.3 ptp180 -153.96 -170.53 3.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.014 0.435 . . . . 71.33 111.099 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 28.6 mmmt -65.74 127.06 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.606 -0.725 . . . . 64.35 109.563 171.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.237 0.407 0 O-C-N 123.471 0.482 . . . . 74.14 111.125 -179.165 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 110.808 -0.917 . . . . 65.4 110.808 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.56 -45.16 91.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.66 -0.496 . . . . 63.53 109.66 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 22' ' ' LEU . 58.5 mt -136.7 81.75 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.602 -0.726 . . . . 54.14 109.173 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -83.39 123.43 29.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 64.14 110.078 -179.375 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 HG13 HD21 ' A' ' 97' ' ' LEU . 36.8 mm -105.8 98.83 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.081 0.467 . . . . 65.53 110.475 -177.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.52 111.63 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 71.44 109.322 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.0 tt -137.77 132.41 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.356 -0.384 . . . . 73.21 110.483 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.583 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.2 mm100 56.43 33.92 23.33 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.298 -0.41 . . . . 72.12 111.143 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 66.19 27.56 10.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.957 -0.565 . . . . 75.44 110.64 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.53 141.6 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.639 . . . . 62.22 109.295 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -110.45 114.65 28.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.689 0.281 . . . . 74.11 110.822 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.39 171.12 12.84 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.131 0.572 . . . . 50.14 110.05 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG2' HD11 ' A' ' 100' ' ' ILE . 7.3 pt-20 -146.5 156.67 43.44 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.547 -0.538 . . . . 61.44 109.547 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 11' ' ' ILE . 58.3 tp -85.15 105.94 16.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.188 -0.301 . . . . 71.45 110.188 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.92 -22.76 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 74.1 111.416 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 17.3 t60 -154.73 138.98 16.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.409 -0.36 . . . . 71.31 110.901 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -139.7 153.97 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.403 -0.591 . . . . 73.43 109.403 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -148.62 131.82 16.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.12 110.821 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 62.11 25.59 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.437 -0.801 . . . . 64.51 111.338 171.188 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.3 21.96 12.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.254 -0.43 . . . . 71.23 111.085 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.0 72.0 Favored Glycine 0 C--O 1.238 0.403 0 CA-C-N 116.035 -0.53 . . . . 74.35 112.579 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HZ ' HD11 ' A' ' 13' ' ' ILE . 71.0 t80 -64.34 99.05 0.27 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.279 0.561 . . . . 72.12 111.203 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -123.6 109.21 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.69 . . . . 73.42 109.227 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -51.22 -42.09 60.73 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.857 0.361 . . . . 75.33 110.464 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.8 -39.15 65.25 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.524 -0.762 . . . . 71.32 111.396 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.32 -38.24 42.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 52.33 110.254 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.36 -56.73 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.584 -0.735 . . . . 74.51 110.764 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -66.19 -21.55 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 53.1 111.491 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.8 -18.78 42.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.799 0.333 . . . . 74.42 111.194 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -115.12 -14.38 11.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.341 -0.391 . . . . 73.11 111.375 -177.382 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.92 138.14 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.366 0.603 . . . . 71.23 111.772 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.7 m -144.65 148.32 34.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.177 -0.92 . . . . 75.42 109.153 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.65 -31.36 64.31 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.793 0.33 . . . . 74.33 111.718 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.54 -25.28 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.062 -0.517 . . . . 75.01 111.559 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.1 mt -79.05 -27.57 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.43 -0.35 . . . . 71.42 111.61 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.06 -33.11 71.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.347 -0.388 . . . . 74.44 111.822 -175.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -3.09 12.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.037 0.384 . . . . 72.01 112.037 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -90.6 -19.97 23.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.426 0.155 . . . . 74.01 111.121 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 69.74 -0.55 2.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.206 0.602 . . . . 72.12 111.286 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 70.6 m-85 -147.83 125.75 12.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.068 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.1 mm -111.62 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 71.14 109.645 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 61.6 t -118.51 112.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 71.54 110.204 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -115.2 121.92 5.45 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.664 -0.574 . . . . 31.43 111.664 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -118.74 142.91 47.25 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.888 -0.412 . . . . 64.54 109.888 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.452 ' HD1' ' O ' ' A' ' 93' ' ' ALA . 60.0 m95 -76.99 -34.22 57.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.017 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.49 -92.67 0.03 OUTLIER Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.945 -0.57 . . . . 74.14 112.139 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -93.92 -29.9 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 63.23 110.146 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.78 -36.35 0.5 Allowed Glycine 0 N--CA 1.454 -0.133 0 CA-C-N 115.919 -0.582 . . . . 71.54 112.018 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.49 90.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 72.51 110.352 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.76 113.63 2.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.333 -0.849 . . . . 74.52 110.677 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -122.3 143.33 49.68 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.089 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.1 mp -94.49 133.64 37.88 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.953 0.406 . . . . 75.24 110.486 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -131.0 138.76 49.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.052 -0.722 . . . . 75.12 109.052 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.75 147.24 18.52 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.95 -0.643 . . . . 61.52 112.285 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.0 m-85 -138.46 166.31 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.676 -0.49 . . . . 75.34 109.676 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.71 146.2 42.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.87 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HA ' HG12 ' A' ' 77' ' ' ILE . 4.7 p-10 -67.37 120.24 13.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.995 0.426 . . . . 73.33 111.216 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 . . . . . 0 C--O 1.235 0.341 0 CA-C-O 121.282 0.563 . . . . 64.51 109.648 175.525 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 98' ' ' LYS . 73.4 p . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.202 0.445 . . . . 64.24 112.202 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -96.5 117.55 31.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.005 0.431 . . . . 73.22 109.989 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 65' ' ' ASP . 59.7 mt -110.75 121.4 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.34 109.968 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -78.71 -42.57 27.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.498 -0.319 . . . . 65.35 111.108 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -66.68 -15.91 63.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.046 0.451 . . . . 71.54 110.518 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 HG11 ' A' ' 50' ' ' VAL . 37.4 tp -66.4 -41.8 88.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.732 -0.667 . . . . 65.34 110.335 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.48 -39.71 77.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.717 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 39.0 mt-10 -60.62 -50.13 74.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.711 -0.677 . . . . 75.55 110.001 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -58.68 -48.96 79.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.364 -0.835 . . . . 75.53 110.297 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 80' ' ' LEU . 51.4 mm -60.05 -41.13 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 72.05 110.539 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.28 -42.99 99.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.418 -0.355 . . . . 72.43 110.831 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 62.2 mm-40 -60.24 -32.49 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 72.31 110.683 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.96 -16.85 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 72.41 112.003 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 92' ' ' CYS . 25.9 t -154.3 119.56 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.089 0.774 . . . . 72.34 113.089 -171.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -105.79 -43.47 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.026 -1.101 . . . . 65.03 108.026 163.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -142.98 84.52 1.84 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.964 -1.017 . . . . 74.24 109.574 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.45 94.37 0.15 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.844 -0.693 . . . . 75.0 112.457 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 88' ' ' CYS . 5.7 p -175.87 168.53 3.02 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 122.602 0.361 . . . . 44.32 110.564 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' HD1' ' A' ' 53' ' ' TRP . . . -163.35 105.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.415 -0.587 . . . . 72.23 109.415 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 44.7 p90 -131.26 162.11 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 75.53 111.563 -173.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 43.8 p90 -133.78 147.51 51.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.259 -0.882 . . . . 71.21 109.792 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 42.8 t -122.94 116.91 50.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 123.277 0.36 . . . . 73.53 110.44 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.475 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -106.92 148.98 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.938 -0.574 . . . . 74.21 109.943 174.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HD2' HG22 ' A' ' 75' ' ' THR . 61.8 tttp -116.44 148.2 40.96 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.156 -0.313 . . . . 63.32 110.156 175.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -78.75 111.96 15.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.138 0.494 . . . . 73.13 110.036 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 21' ' ' GLU . 24.4 mm -73.86 172.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.827 -0.624 . . . . 74.24 110.189 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' H ' HG22 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -50.56 -75.51 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.637 0.375 . . . . 72.24 111.891 -178.304 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.32 156.34 1.21 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.972 0.415 . . . . 72.32 111.171 -178.737 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.302 -0.863 . . . . 71.51 111.198 -173.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 N-CA-C 111.288 -0.725 . . . . 24.11 111.288 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -125.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.999 -0.741 . . . . 65.32 108.999 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.16 89.81 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.495 -0.775 . . . . 64.54 109.316 174.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.22 134.38 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.21 -0.904 . . . . 65.04 110.378 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.559 HG13 HD21 ' A' ' 97' ' ' LEU . 35.6 mm -113.84 99.88 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.431 -0.35 . . . . 51.43 110.504 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 7.5 mp -94.61 114.16 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.142 -0.318 . . . . 75.23 110.142 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.579 HG12 ' HG2' ' A' ' 16' ' ' GLN . 12.2 tt -150.1 137.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.712 -177.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.579 ' HG2' HG12 ' A' ' 15' ' ' ILE . 32.9 mm-40 56.46 47.24 19.2 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.771 0.428 . . . . 74.23 111.52 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 m120 68.78 11.36 8.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.433 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HD3' ' A' ' 99' ' ' ARG . . . -118.43 148.97 42.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 61.24 111.288 -176.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HB2' HD23 ' A' ' 103' ' ' LEU . 39.2 tt0 -117.6 113.37 21.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.993 -0.549 . . . . 74.34 110.044 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 95.8 m-85 -111.21 171.99 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.709 0.403 . . . . 64.03 110.471 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -141.93 148.54 38.84 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 25' ' ' ASN . 63.0 tp -79.24 103.3 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 75.32 110.039 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.96 -13.56 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.564 -0.289 . . . . 74.32 111.562 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -158.67 133.13 8.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 110.409 -0.219 . . . . 62.53 110.409 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.3 t30 -142.34 148.65 38.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.85 -0.796 . . . . 73.54 108.85 175.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 4.2 t80 -151.25 124.72 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.537 -0.542 . . . . 70.2 109.537 -176.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.7 mptp? 56.96 34.48 24.95 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.562 0.539 . . . . 73.3 110.94 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 54.52 31.67 15.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.593 -0.731 . . . . 73.43 111.18 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.97 -28.35 60.75 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 111.485 -0.646 . . . . 65.12 111.485 175.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -65.46 104.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.945 0.402 . . . . 71.51 110.303 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -127.53 99.0 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.75 -0.833 . . . . 71.2 108.75 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -50.94 -43.6 60.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.941 -0.572 . . . . 71.33 112.173 -171.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.05 -44.9 83.44 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.835 0.35 . . . . 71.03 110.563 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.86 76.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.303 -0.408 . . . . 74.52 110.27 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -58.85 -61.61 2.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.686 -0.688 . . . . 61.44 110.486 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -63.62 -29.11 70.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.856 -0.611 . . . . 74.3 111.103 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.61 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 60.1 111.351 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.78 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -108.17 -0.97 20.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.673 -0.24 . . . . 75.14 111.445 -178.29 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.68 137.33 44.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 110.203 -0.295 . . . . 72.23 110.203 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -141.99 160.11 40.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.342 -0.39 . . . . 52.0 110.296 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.45 -29.66 70.91 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.889 -0.596 . . . . 75.14 111.076 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.46 -28.57 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 64.2 110.669 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 49' ' ' ILE . 70.5 mt -86.82 -21.08 26.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 72.43 110.795 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 46.1 t-20 -60.9 -27.55 68.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.637 -0.71 . . . . 74.11 110.833 -177.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -72.1 -16.37 62.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 72.34 112.051 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 87.0 m-85 -86.85 -34.96 19.3 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.886 0.699 . . . . 74.13 112.886 -172.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.498 ' CG ' HH21 ' A' ' 99' ' ' ARG . 1.9 m-20 72.93 0.32 3.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.285 0.634 . . . . 73.34 111.823 -175.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 73.9 m-85 -137.44 122.26 18.8 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.338 -0.616 . . . . 74.25 109.338 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 43' ' ' LEU . 42.5 mm -120.68 119.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.669 0.271 . . . . 71.33 110.434 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 96' ' ' VAL . 61.9 t -113.8 137.15 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 65.41 109.505 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.14 123.85 4.56 Favored Glycine 0 N--CA 1.454 -0.155 0 N-CA-C 111.482 -0.647 . . . . 71.23 111.482 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.37 151.17 37.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.984 0.421 . . . . 64.32 110.46 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -108.47 32.09 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.592 -0.731 . . . . 64.03 109.649 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.08 -57.24 11.57 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.975 -0.557 . . . . 50.24 113.238 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -92.73 21.01 5.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.894 0.378 . . . . 73.32 110.663 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.03 15.59 74.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.0 -0.619 . . . . 54.23 111.822 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -125.62 114.48 18.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.106 -0.702 . . . . 73.13 109.106 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.55 109.22 5.35 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 110.027 -0.36 . . . . 71.45 110.027 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -119.06 138.1 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 74.44 109.932 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.47 112.18 24.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.011 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.4 tmtm? -104.02 128.05 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.552 -0.907 . . . . 72.13 108.552 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.86 147.17 18.48 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.739 -0.743 . . . . 73.45 112.443 -177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.7 m-85 -134.64 163.73 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.829 -0.434 . . . . 74.03 109.829 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -104.16 159.05 16.01 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.328 -0.619 . . . . 74.54 109.328 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.79 123.95 17.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.742 -0.466 . . . . 73.32 109.742 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 30.4 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.33 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.585 HG22 ' HD2' ' A' ' 98' ' ' LYS . 35.7 p . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.937 0.399 . . . . 74.23 110.651 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -77.84 130.83 37.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.365 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.554 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 67.1 mt -128.13 111.85 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.176 -0.676 . . . . 65.43 109.176 176.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -58.8 -41.55 87.01 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.73 0.3 . . . . 75.21 111.409 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -71.59 -12.17 61.22 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.769 -0.196 . . . . 74.5 111.238 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 56.4 tp -66.04 -49.63 67.03 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.258 -0.645 . . . . 72.12 109.258 174.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.51 -46.93 66.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.265 -0.88 . . . . 61.45 109.983 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.95 -43.37 81.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.218 -0.901 . . . . 71.34 111.073 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -70.65 -48.25 55.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.007 -0.542 . . . . 71.22 110.722 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.95 -36.73 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.556 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -57.58 -31.5 66.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.779 -0.646 . . . . 73.25 110.998 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.22 -31.73 73.04 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.212 -0.449 . . . . 62.32 111.134 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -107.56 -64.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.521 0.677 . . . . 74.52 111.199 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 1.9 t -108.12 114.82 29.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.277 -0.874 . . . . 71.32 111.109 -168.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.95 -35.81 6.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.077 0.465 . . . . 74.12 110.209 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -101.95 9.2 40.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.962 -0.563 . . . . 75.33 111.36 -172.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.33 123.82 0.92 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 121.044 -0.598 . . . . 42.1 112.628 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.2 p -158.93 -167.29 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.929 -0.397 . . . . 63.05 109.929 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' PHE . . . -70.74 114.61 8.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.221 0.452 . . . . 71.53 112.221 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -166.36 167.46 15.85 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.741 -0.663 . . . . 74.45 109.603 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.82 163.58 39.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.622 0.231 . . . . 72.41 111.622 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.517 HG13 HG22 ' A' ' 50' ' ' VAL . 41.7 t -137.41 131.69 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.919 -0.582 . . . . 72.52 110.151 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -121.29 142.86 49.55 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.688 0.395 . . . . 72.42 111.053 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.585 ' HD2' HG22 ' A' ' 75' ' ' THR . 54.6 tttp -118.73 140.62 49.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.464 -0.569 . . . . 74.15 109.464 173.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 33.2 ttp180 -86.06 122.36 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 75.41 110.674 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 28.4 mm -65.74 -25.1 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 51.12 111.293 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 62.7 ttt180 76.13 -33.54 0.22 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.157 0.583 . . . . 71.41 111.362 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -74.98 26.75 0.09 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.988 0.515 . . . . 61.33 112.101 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.4 tm? . . . . . 0 C--O 1.236 0.344 0 N-CA-C 109.427 -0.583 . . . . 64.4 109.427 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 110.905 -0.878 . . . . 71.11 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.15 -64.4 0.85 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 72.23 110.008 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD12 HD23 ' A' ' 22' ' ' LEU . 53.8 mt -117.04 84.93 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.618 -0.882 . . . . 74.41 108.618 174.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.62 131.95 36.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.6 -1.182 . . . . 64.31 110.499 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 16.7 mm -117.16 100.37 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.447 -0.575 . . . . 73.24 109.447 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.34 111.58 23.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.085 -0.339 . . . . 74.33 110.085 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.7 tt -150.62 137.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 54.44 110.66 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 54.23 46.83 24.43 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.895 -0.593 . . . . 73.5 111.458 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 62.82 28.66 16.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.813 -0.63 . . . . 62.41 111.736 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 135.15 38.62 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.599 -0.273 . . . . 64.32 110.955 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -95.94 116.56 29.11 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.565 -0.532 . . . . 45.53 109.565 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 43.1 m-85 -107.38 160.4 15.66 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.397 -0.365 . . . . 71.12 110.29 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 100' ' ' ILE . 13.8 pt-20 -124.6 133.19 53.35 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.543 -0.54 . . . . 63.14 109.543 172.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 HD12 ' A' ' 11' ' ' ILE . 53.6 tp -77.31 103.47 7.26 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.089 -0.708 . . . . 65.44 109.089 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG11 HG21 ' A' ' 75' ' ' THR . 12.9 m -90.08 -25.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 74.23 111.51 -173.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -154.8 132.28 11.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.301 . . . . 72.33 110.336 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.471 ' HB2' HD21 ' A' ' 22' ' ' LEU . 39.9 t30 -127.85 108.91 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.221 -0.659 . . . . 61.24 109.221 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 56.5 t80 -95.3 113.39 25.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 73.12 110.411 -173.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 59.05 34.75 23.65 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.003 -0.544 . . . . 65.21 111.098 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 25' ' ' ASN . 0.6 OUTLIER 58.78 30.22 19.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.13 -0.486 . . . . 44.4 111.119 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -19.8 60.7 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.197 -0.525 . . . . 64.35 112.378 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.12 136.67 42.95 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.014 0.435 . . . . 72.32 111.117 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -151.58 121.78 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.377 -0.829 . . . . 64.24 108.809 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.45 -51.67 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 75.02 111.902 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 11.7 pt-20 -64.92 -32.42 74.12 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 121.179 -0.208 . . . . 75.34 111.361 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.32 67.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.849 0.357 . . . . 62.13 110.39 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.1 -58.23 9.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 55.15 110.817 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 33' ' ' GLU . 13.8 ptmm? -57.83 -31.06 66.25 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 62.1 111.608 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.09 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.393 -0.367 . . . . 50.42 111.341 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HB2' HD13 ' A' ' 60' ' ' LEU . 30.5 mmt180 -106.51 -3.49 20.81 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.901 0.334 . . . . 74.03 111.901 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -76.74 148.71 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.136 -0.32 . . . . 51.13 110.136 176.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.3 t -149.05 155.47 40.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.623 -0.51 . . . . 74.04 109.623 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.03 -23.86 67.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.427 -0.351 . . . . 75.2 111.52 -176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 tp -61.36 -28.42 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 121.134 0.493 . . . . 74.11 110.349 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.6 mt -83.54 -18.64 37.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.927 -0.579 . . . . 75.24 111.566 -176.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.19 -34.61 78.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.418 -0.356 . . . . 53.31 111.57 -173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -63.79 -15.76 59.54 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.116 -0.493 . . . . 70.25 112.182 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.8 m-85 -81.7 -22.87 37.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.601 0.239 . . . . 74.14 111.204 -175.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.38 0.2 1.67 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.292 0.637 . . . . 74.21 112.007 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -145.39 117.07 8.13 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.935 0.398 . . . . 72.21 110.413 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.7 mm -115.41 117.42 55.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.621 . . . . 73.04 110.14 -178.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.9 t -119.16 116.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.035 -0.357 . . . . 55.14 110.035 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -104.87 129.75 9.96 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.17 -0.772 . . . . 51.42 111.17 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -108.99 154.02 22.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.287 0.565 . . . . 72.02 111.461 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' CE2' HD23 ' A' ' 58' ' ' LEU . 89.8 m95 -117.84 31.46 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.989 -1.005 . . . . 75.03 109.158 169.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.513 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . -49.5 -41.11 32.79 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.738 -0.665 . . . . 70.04 114.177 -170.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.458 ' H ' ' HG2' ' A' ' 57' ' ' GLN . 66.7 t80 -123.47 19.94 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.476 0.655 . . . . 73.42 109.528 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.84 46.9 21.67 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.264 -1.134 . . . . 41.31 110.264 -169.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 3.6 pt20 -133.46 93.86 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.994 -0.603 . . . . 74.42 109.861 -173.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' CE2' ' A' ' 53' ' ' TRP . 2.1 tm? -70.08 91.77 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 71.4 110.022 -175.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 40.3 mtp180 -120.71 129.87 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 71.11 110.196 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.4 mp -97.84 112.21 24.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.846 0.355 . . . . 65.31 110.126 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.9 tmtt? -107.13 130.4 54.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.133 -0.691 . . . . 74.3 109.133 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.552 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.63 139.75 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.242 -0.504 . . . . 72.3 112.086 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.9 m-85 -129.0 162.08 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.327 -0.249 . . . . 51.44 110.327 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -103.04 165.07 11.24 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.656 -0.498 . . . . 71.1 109.656 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.27 122.67 20.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 74.41 110.829 -176.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.09 -0.707 . . . . 71.41 109.09 171.295 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.61 HG21 HG11 ' A' ' 23' ' ' VAL . 41.9 p . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.577 0.227 . . . . 75.2 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 76' ' ' LYS . 26.7 mmtm -147.02 119.81 8.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.28 0.562 . . . . 71.11 110.871 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 80' ' ' LEU . 58.7 mt -119.95 128.41 75.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.585 -0.734 . . . . 75.12 109.411 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -76.57 -49.65 15.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 75.31 110.439 -174.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -64.17 -24.93 67.86 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.042 -0.527 . . . . 65.41 110.752 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' H ' HG22 ' A' ' 77' ' ' ILE . 40.5 tp -60.38 -34.92 74.58 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.464 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.16 -45.84 91.69 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.237 0.542 . . . . 72.22 109.901 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.0 mm-40 -65.55 -42.34 91.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.372 -0.831 . . . . 70.22 110.108 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -61.19 -55.76 28.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.17 -0.923 . . . . 75.2 111.11 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.78 -37.16 70.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.333 -0.394 . . . . 74.51 110.787 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -61.01 -22.59 64.69 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.96 -0.564 . . . . 75.35 111.42 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 17.7 mm-40 -81.11 -25.38 37.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.495 -0.321 . . . . 64.1 111.221 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.415 ' HB3' ' HA3' ' A' ' 54' ' ' GLY . 99.1 m-85 -107.86 -62.32 1.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.859 0.362 . . . . 75.15 111.616 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 61.3 m -89.9 100.61 13.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.156 -0.474 . . . . 60.53 112.033 -170.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -93.79 -43.77 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.41 -74.1 0.13 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.657 -0.701 . . . . 74.53 110.062 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 81.71 0.37 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.789 -0.525 . . . . 74.32 111.789 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.513 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 48.8 t -158.55 168.31 27.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.634 0.254 . . . . 74.1 110.758 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -155.37 154.7 32.39 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.815 -0.439 . . . . 63.04 109.815 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -165.89 170.73 13.46 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 110.202 -0.295 . . . . 73.14 110.202 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -146.26 145.88 30.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 72.1 110.478 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 t -123.16 121.3 62.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.344 -0.389 . . . . 61.01 110.475 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.449 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -111.7 139.74 46.9 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.71 0.404 . . . . 73.42 110.446 176.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -111.53 122.13 47.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 74.45 109.882 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 100' ' ' ILE . 2.7 tmm_? -81.5 129.39 34.64 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.232 -0.655 . . . . 74.42 109.232 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 102' ' ' LYS . 8.8 mm -105.58 161.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.145 0.497 . . . . 73.13 110.974 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.0 ptt180 -77.39 33.96 0.16 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.611 -0.722 . . . . 62.01 110.795 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 100' ' ' ILE . 42.2 mtmt -129.52 156.79 43.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.59 0.356 . . . . 54.31 110.633 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 109.155 -0.683 . . . . 62.42 109.155 168.008 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 111.311 -0.715 . . . . 74.21 111.311 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 11' ' ' ILE . 43.0 tt0 -153.25 -72.56 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.937 -0.394 . . . . 71.0 109.937 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' ' 10' ' ' GLU . 58.5 mt -106.47 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.368 0.604 . . . . 73.12 109.753 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptp -92.58 137.83 32.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.405 -0.816 . . . . 64.43 110.321 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 43.0 mm -120.76 102.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 72.51 109.682 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.78 123.76 50.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.15 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.566 HG12 ' HG2' ' A' ' 16' ' ' GLN . 6.3 tt -149.37 136.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.765 -0.652 . . . . 63.4 109.653 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.8 mm100 61.5 22.47 12.91 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.073 0.233 . . . . 74.05 110.942 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.38 32.14 9.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.129 -0.487 . . . . 64.5 110.553 -173.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.57 150.46 27.46 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.474 -0.565 . . . . 61.22 109.474 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 30.4 tt0 -111.53 114.13 27.0 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.165 0.291 . . . . 64.11 111.211 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 93.9 m-85 -131.15 166.33 21.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.3 0.24 . . . . 72.24 110.451 178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' ILE . 10.3 pt-20 -139.43 161.03 38.47 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.324 -0.621 . . . . 73.22 109.324 169.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 25' ' ' ASN . 61.0 tp -89.85 103.19 15.87 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.472 -0.566 . . . . 63.45 109.472 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.25 -17.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.569 -0.287 . . . . 52.1 111.758 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 15.5 t-80 -155.33 133.47 11.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 63.21 110.515 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.8 t30 -139.88 135.55 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.597 -0.52 . . . . 71.42 109.597 176.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -131.93 133.29 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.143 -0.317 . . . . 73.23 110.143 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 63.26 16.19 9.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.885 0.741 . . . . 61.14 110.293 178.217 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.7 m-20 55.62 34.99 24.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.614 -0.721 . . . . 53.5 110.581 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.472 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.04 -14.74 73.79 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.287 -0.869 . . . . 73.21 112.284 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.12 129.14 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 74.52 111.105 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.4 t-20 -153.65 126.87 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.571 -0.9 . . . . 72.14 108.571 172.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -57.93 -43.8 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.271 0.357 . . . . 54.32 111.212 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.0 pt-20 -59.24 -41.79 89.56 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.486 -0.324 . . . . 73.32 110.368 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.98 97.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.221 0.534 . . . . 71.02 110.396 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -57.39 7.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 71.1 110.927 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 17.5 ptmt -70.91 -19.21 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 55.12 112.023 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.14 53.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.707 0.289 . . . . 50.3 111.174 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -97.29 -13.25 22.08 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.493 -0.321 . . . . 63.33 110.442 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.74 139.34 56.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.189 0.519 . . . . 72.31 112.003 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -136.2 146.43 46.81 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.052 -0.721 . . . . 54.44 109.052 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.28 -35.31 73.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.696 0.284 . . . . 72.34 111.503 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.05 -27.56 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.028 0.442 . . . . 63.12 110.867 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.44 -19.53 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 74.14 111.057 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -38.18 80.19 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.166 -0.47 . . . . 75.21 111.088 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -64.74 -21.85 66.85 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 52.01 112.384 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 94.4 m-85 -70.21 -28.71 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 72.41 110.899 -176.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 67.0 1.3 2.27 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.771 -0.649 . . . . 52.33 111.657 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 77' ' ' ILE . 41.3 m-85 -142.19 117.36 10.08 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.503 -0.554 . . . . 60.02 109.503 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -119.63 118.69 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 61.23 110.287 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 HG13 ' A' ' 96' ' ' VAL . 84.8 t -111.2 118.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 61.2 110.487 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.87 120.51 5.95 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.48 -0.648 . . . . 73.21 111.48 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.77 121.76 44.7 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.987 -0.375 . . . . 74.21 109.987 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -84.2 -60.59 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.058 -0.719 . . . . 73.0 109.058 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.494 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 50.29 -96.88 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.477 -0.783 . . . . 74.22 113.427 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -82.9 5.33 22.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.223 0.535 . . . . 74.04 110.957 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 4.64 59.82 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.886 -0.486 . . . . 71.23 111.886 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.97 80.97 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.877 -0.416 . . . . 63.42 109.877 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.91 107.82 0.92 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 65.42 109.928 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -131.11 158.19 41.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.356 -0.838 . . . . 72.43 109.188 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.71 118.27 36.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 64.25 111.21 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -97.79 138.14 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 72.13 109.664 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.86 135.85 12.41 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.024 -0.608 . . . . 72.31 112.315 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 63.5 m-85 -132.67 174.14 10.61 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.724 -0.473 . . . . 70.01 109.724 175.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -121.02 171.34 8.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 51.5 109.181 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 107.32 0.46 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.608 -0.516 . . . . 74.1 109.608 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.69 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 15.4 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.579 . . . . 62.1 110.131 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.169 0.509 . . . . 71.21 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -160.91 146.88 14.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.948 -0.76 . . . . 73.5 108.948 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.69 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 31.4 mt -126.09 110.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.936 -0.394 . . . . 62.33 109.936 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.8 t -65.83 -46.63 77.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.752 0.311 . . . . 60.3 110.718 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -63.81 -18.16 63.83 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.322 -0.399 . . . . 72.25 110.999 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 66.9 tp -66.83 -45.52 78.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.432 -0.349 . . . . 74.25 110.576 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.86 -43.77 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.963 -0.562 . . . . 70.31 110.158 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 23.2 mm-40 -65.73 -48.51 71.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 64.22 110.445 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.83 -56.51 18.62 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.776 -0.647 . . . . 75.13 111.244 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 88' ' ' CYS . 44.1 mm -58.29 -42.77 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 64.21 110.467 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.82 -30.1 60.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 74.4 110.764 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -79.92 -47.96 14.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.043 -0.526 . . . . 71.52 110.493 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -86.69 -81.71 0.22 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.88 -0.6 . . . . 71.21 111.037 -175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.512 ' HB3' HG23 ' A' ' 84' ' ' ILE . 37.1 t -81.26 82.36 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.21 0.529 . . . . 54.03 110.385 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -66.86 178.16 1.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 73.22 110.178 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.78 87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.037 0.446 . . . . 74.12 109.946 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.73 37.43 0.02 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.59 -0.732 . . . . 70.43 111.554 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.494 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 7.5 p -172.25 -167.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.588 -0.523 . . . . 72.14 109.588 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . . . -133.95 166.01 23.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.814 0.34 . . . . 62.33 111.529 -176.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -165.38 160.33 18.0 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.704 -0.68 . . . . 55.24 109.863 176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -144.2 153.94 42.61 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.488 -0.324 . . . . 74.22 110.684 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.513 HG13 HG22 ' A' ' 50' ' ' VAL . 32.4 t -131.31 120.68 46.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.325 -0.398 . . . . 43.4 110.567 -175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.84 148.34 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.228 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -128.66 137.82 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 71.23 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 8.5 tpt180 -69.79 126.22 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.559 -0.534 . . . . 71.22 109.559 172.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 21' ' ' GLU . 38.4 mm -77.15 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.695 -0.23 . . . . 61.03 110.469 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -145.9 -81.93 0.15 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 110.448 -0.205 . . . . 72.52 110.448 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 147.59 22.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.608 -0.269 . . . . 71.31 110.364 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.298 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.605 0.558 . . . . 70.11 113.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -161.47 -73.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.306 -1.368 . . . . 63.13 107.306 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -133.36 81.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.832 -1.174 . . . . 62.24 107.832 167.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -102.91 138.83 39.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.08 -0.964 . . . . 73.44 110.592 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 97' ' ' LEU . 19.1 mm -118.1 99.83 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 73.14 109.637 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 14' ' ' LEU . 7.2 mp -90.2 110.65 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.22 109.682 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.604 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.7 tt -143.22 135.99 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 74.25 109.952 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 15' ' ' ILE . 71.4 mm-40 57.88 29.22 17.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 70.31 110.528 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 64.87 25.04 12.81 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.607 -0.724 . . . . 74.22 110.938 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.87 128.17 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.32 -0.622 . . . . 62.25 109.32 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.42 136.64 35.54 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.683 0.278 . . . . 73.31 110.281 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 84.2 m-85 -130.38 134.35 47.08 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.348 -0.612 . . . . 71.13 109.348 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.59 136.07 37.62 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.76 0.315 . . . . 71.12 110.191 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.9 104.84 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.318 -0.623 . . . . 73.4 109.318 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -96.44 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.808 -175.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -158.08 132.53 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.034 -0.358 . . . . 75.42 110.034 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -142.93 137.91 29.77 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.513 -0.551 . . . . 75.53 109.513 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 50.4 t80 -128.1 112.28 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.046 -0.353 . . . . 75.0 110.046 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.4 mptp? 56.88 34.17 24.35 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.103 0.478 . . . . 65.31 111.174 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 60.03 39.29 20.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.405 -0.816 . . . . 71.11 110.802 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.3 -28.41 61.74 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.324 -0.71 . . . . 51.51 111.324 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -64.42 136.16 56.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.125 0.488 . . . . 72.52 110.992 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -153.88 116.5 4.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.202 -1.036 . . . . 73.43 108.202 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.4 tt0 -65.17 -51.66 59.76 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.483 0.182 . . . . 72.23 111.349 -171.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.82 -34.78 76.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.49 -0.323 . . . . 61.01 110.704 -174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.85 57.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.472 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.04 -59.14 5.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 62.12 111.063 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.8 ptmt -63.92 -24.2 67.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 74.25 111.325 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.74 35.1 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.279 -0.419 . . . . 64.31 111.448 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.6 mmp_? -114.08 -2.04 13.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.57 -0.286 . . . . 70.04 111.128 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -67.22 114.4 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.984 -0.376 . . . . 71.35 109.984 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -89.15 134.02 34.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.093 -0.503 . . . . 63.53 109.837 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.88 -30.6 67.88 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 122.601 0.36 . . . . 74.31 110.886 -177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.14 -28.19 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.339 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 49' ' ' ILE . 94.8 mt -71.18 -15.26 62.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.1 -0.5 . . . . 62.5 111.705 -175.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.39 -23.17 64.12 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.132 0.492 . . . . 73.31 110.823 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.36 -36.84 81.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.845 -0.616 . . . . 72.45 110.963 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 75.5 m-85 -84.56 -38.13 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 74.35 111.718 -169.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 99' ' ' ARG . 22.4 m-20 67.95 1.37 2.7 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.232 -0.44 . . . . 53.13 111.966 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 69.2 m-85 -129.59 115.66 17.73 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.533 -0.914 . . . . 75.1 108.533 171.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 43' ' ' LEU . 27.2 mm -114.76 126.63 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.686 -172.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.497 HG21 HD13 ' A' ' 80' ' ' LEU . 47.2 t -118.41 124.87 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 64.33 109.555 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -116.58 120.26 4.79 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.819 -0.705 . . . . 54.43 111.907 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.42 139.79 48.62 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.926 -0.398 . . . . 75.31 109.926 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.99 -88.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.072 -0.344 . . . . 74.32 110.072 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.07 -74.49 0.08 OUTLIER Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.305 -0.474 . . . . 75.31 112.36 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -86.65 178.07 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.023 -0.732 . . . . 63.45 109.023 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.28 28.04 1.0 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.148 -0.549 . . . . 51.14 113.779 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -144.45 143.14 30.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.559 -0.534 . . . . 70.51 109.559 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.49 113.31 23.94 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.313 -0.625 . . . . 74.53 109.313 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 20.6 tpp85 -94.48 128.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.986 -0.376 . . . . 73.41 109.986 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.0 115.37 28.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.935 0.398 . . . . 70.12 110.256 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -110.73 138.69 46.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.589 -0.732 . . . . 73.22 109.584 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.78 141.81 15.37 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.329 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 80.5 m-85 -135.94 168.04 20.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.783 0.325 . . . . 73.45 110.747 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.49 156.46 20.84 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.282 -0.636 . . . . 54.22 109.282 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.69 153.67 16.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 110.244 -0.28 . . . . 70.04 110.244 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' ' 77' ' ' ILE . 7.8 t70 . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.771 0.32 . . . . 73.31 110.632 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.235 0.3 0 CA-C-O 121.206 0.527 . . . . 43.21 111.195 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -150.41 132.24 15.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.131 -0.692 . . . . 73.04 109.131 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.451 HG22 HG22 ' A' ' 79' ' ' THR . 64.7 mt -126.84 122.41 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.697 -0.483 . . . . 74.41 109.697 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -51.38 -49.79 60.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.332 -0.395 . . . . 64.05 111.631 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.451 HG22 HG22 ' A' ' 77' ' ' ILE . 14.4 t -69.22 -21.3 63.95 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.656 -0.247 . . . . 71.21 111.428 -177.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 50' ' ' VAL . 50.6 tp -69.41 -42.42 75.09 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 109.845 -0.428 . . . . 73.14 109.845 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.57 -43.68 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 71.24 109.912 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 29.5 mm-40 -61.27 -49.7 75.99 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.681 -0.691 . . . . 74.41 109.975 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.77 -54.7 30.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.259 -0.882 . . . . 72.34 111.713 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.44 -39.6 79.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.898 0.38 . . . . 61.52 110.325 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 50.2 t80 -64.6 -39.23 93.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.555 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.9 mt-10 -61.81 -56.43 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 52.15 111.419 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -96.82 -28.47 14.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.204 0.816 . . . . 72.53 113.204 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 34.4 t -135.18 50.97 2.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.17 0.51 . . . . 73.34 111.552 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 51.9 t30 -69.39 -34.19 74.15 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.93 -0.577 . . . . 72.25 110.429 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.73 -71.19 0.16 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.722 -0.672 . . . . 74.13 110.412 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.71 94.36 0.1 Allowed Glycine 0 C--O 1.238 0.36 0 C-N-CA 121.139 -0.553 . . . . 75.31 111.903 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 23.0 p -135.78 159.81 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.53 -0.544 . . . . 73.53 109.53 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.0 134.97 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.638 0.256 . . . . 71.22 111.313 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -151.44 174.7 13.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.922 -0.581 . . . . 54.31 110.025 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -154.55 151.8 29.31 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.593 -0.276 . . . . 74.43 111.037 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.2 128.38 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 122.468 0.307 . . . . 75.01 110.595 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 20' ' ' PHE . 11.2 mp -111.6 146.48 37.32 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.787 0.435 . . . . 42.52 110.787 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -118.64 138.01 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 72.42 109.984 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 12.9 tpt180 -66.58 138.2 57.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.176 0.436 . . . . 75.41 112.176 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.0 mm -98.75 142.26 15.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.659 -0.7 . . . . 72.35 109.196 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -60.29 -48.32 82.22 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.619 0.247 . . . . 71.44 111.231 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -125.1 176.11 6.92 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.555 -0.293 . . . . 61.3 110.659 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.123 0.487 . . . . 61.22 112.114 -175.042 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 111.483 0.179 . . . . 75.21 111.483 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.7 pt -68.99 133.8 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 109.165 -0.68 . . . . 71.51 109.165 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 74.82 46.8 16.25 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.265 -1.134 . . . . 70.44 110.265 -171.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -42.71 81.6 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.085 1.142 . . . . 75.15 114.085 -170.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 3' ' ' GLY . 18.4 m 51.9 28.93 5.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.798 -0.637 . . . . 72.12 111.506 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' OE2' ' HA2' ' A' ' 3' ' ' GLY . 43.4 mt-10 -70.18 112.43 6.53 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.045 -0.525 . . . . 73.3 112.398 -173.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.61 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -115.06 16.86 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.679 -0.86 . . . . 71.14 108.679 168.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -107.46 135.23 49.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 114.957 -1.02 . . . . 71.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.41 -176.21 31.21 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.604 -0.598 . . . . 62.05 111.604 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.1 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 63.12 108.596 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 22' ' ' LEU . 54.7 mt -140.64 82.42 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.195 -1.039 . . . . 43.32 108.195 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.555 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.36 122.32 35.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.289 -0.869 . . . . 72.32 110.532 -176.456 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.5 HG13 HD21 ' A' ' 97' ' ' LEU . 17.7 mm -107.7 108.61 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.763 -0.653 . . . . 75.34 110.098 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.86 115.31 30.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.03 -0.359 . . . . 75.51 110.03 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -141.26 142.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.272 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 53.95 33.42 17.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.8 0.333 . . . . 65.42 110.861 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.523 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 2.5 m-20 64.26 27.47 13.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.731 -0.668 . . . . 61.31 111.045 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.66 132.02 56.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.947 -0.57 . . . . 60.41 109.662 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -94.17 123.98 37.9 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.873 -0.417 . . . . 71.3 109.873 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.52 160.45 26.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.718 0.294 . . . . 75.25 110.451 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -133.82 129.75 36.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.088 -0.505 . . . . 75.5 109.675 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 11' ' ' ILE . 64.8 tp -74.17 101.7 4.04 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.474 -0.565 . . . . 70.44 109.474 175.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -87.89 -36.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 74.32 111.439 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.1 133.77 30.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.34 -0.244 . . . . 64.11 110.34 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -143.57 128.8 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 75.32 109.759 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -124.66 133.39 53.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 72.51 110.313 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 64.53 20.6 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.314 -0.857 . . . . 61.44 110.26 173.132 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 57.32 37.12 27.97 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.535 -0.757 . . . . 73.31 110.42 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.99 -16.01 70.09 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.571 -0.74 . . . . 73.44 112.26 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.95 97.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 71.14 111.331 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -107.69 112.36 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.693 -0.854 . . . . 53.22 108.693 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.4 -51.63 68.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.267 0.469 . . . . 53.01 112.267 -170.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.88 -40.16 91.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.976 -0.29 . . . . 55.34 110.634 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.68 85.16 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.352 -0.386 . . . . 73.14 110.257 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 59.9 t80 -55.98 -57.24 12.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.147 -0.479 . . . . 71.41 110.825 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HB2' HD12 ' A' ' 15' ' ' ILE . 14.2 ptmm? -67.99 -19.77 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 62.1 111.329 -174.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.21 34.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 75.33 110.535 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 38' ' ' ARG . 12.1 mmm180 -90.73 -14.47 32.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 65.41 110.75 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -64.22 155.07 33.01 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.86 -0.609 . . . . 73.54 111.232 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -149.33 148.43 29.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.168 -0.679 . . . . 73.01 109.168 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.28 -37.43 74.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.704 0.402 . . . . 64.5 112.044 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.09 -24.78 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.065 0.459 . . . . 75.35 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' HD12 ' A' ' 49' ' ' ILE . 89.2 mt -71.14 -27.41 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 73.52 111.387 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -57.91 -21.51 43.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.175 0.512 . . . . 70.03 110.62 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 74.02 112.091 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.3 -24.94 57.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.257 0.836 . . . . 74.12 113.257 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 22.5 t70 72.41 -0.11 3.4 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.197 0.522 . . . . 75.42 110.744 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -149.35 119.12 7.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.998 -0.547 . . . . 71.24 109.945 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.6 mm -112.81 114.53 47.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.828 0.346 . . . . 74.31 110.082 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.5 t -101.96 127.43 55.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.623 -0.51 . . . . 64.11 109.623 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -118.38 120.05 4.58 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.873 -0.68 . . . . 63.01 111.474 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.11 150.81 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.844 0.354 . . . . 74.1 110.06 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -97.37 27.05 4.42 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.017 -0.538 . . . . 70.45 110.367 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -66.75 135.72 33.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.23 -0.748 . . . . 30.51 111.23 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 61.7 t80 70.66 11.5 7.24 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.335 0.588 . . . . 61.33 110.058 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 -49.59 4.14 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.036 -0.529 . . . . 61.3 112.622 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.78 116.23 15.26 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.959 -0.386 . . . . 71.54 109.959 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 59' ' ' ARG . 4.8 tt -55.49 123.42 13.9 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.48 0.487 . . . . 70.01 110.179 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.563 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 18.6 mmm180 -107.39 129.12 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.51 109.839 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.08 102.52 12.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.541 -0.911 . . . . 50.14 108.541 168.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -114.77 126.77 55.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.162 -0.681 . . . . 75.15 109.162 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.02 146.23 18.04 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.013 -0.613 . . . . 60.1 112.648 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -124.58 169.46 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.223 -0.658 . . . . 74.3 109.223 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -103.41 163.14 12.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.678 -0.49 . . . . 64.54 109.678 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.28 109.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.679 0.752 . . . . 71.41 111.359 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 77' ' ' ILE . 13.7 t70 -86.35 -47.31 9.47 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.963 -1.017 . . . . 74.43 110.913 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 14.6 mm-40 -70.41 153.79 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 73.2 111.667 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -90.48 158.65 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.763 -0.828 . . . . 73.44 108.763 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.95 -21.06 18.66 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.389 0.514 . . . . 72.34 112.389 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -91.72 -0.56 57.56 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.817 0.342 . . . . 72.21 111.43 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.53 128.94 34.9 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.364 -0.21 . . . . 61.2 110.454 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 t -77.11 -28.31 54.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.046 0.451 . . . . 74.24 110.184 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 m-85 -84.1 62.39 7.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.929 0.395 . . . . 73.22 110.12 174.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -47.43 -35.8 9.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.151 -0.931 . . . . 72.31 111.433 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.9 p -86.13 1.06 51.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.454 -0.794 . . . . 55.24 112.949 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.4 mmmt -90.1 129.94 36.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.121 0.486 . . . . 74.15 110.978 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 66' ' ' ASP . 44.3 mt -114.88 107.47 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.587 -0.894 . . . . 65.12 108.587 173.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -64.29 -33.26 75.43 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.704 0.288 . . . . 51.01 111.721 -172.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -77.68 -11.21 59.85 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.101 0.477 . . . . 70.24 111.111 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 54.2 tp -69.59 -42.13 74.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.496 -176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.57 -49.88 61.2 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.976 -0.557 . . . . 70.24 111.438 -175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.92 -34.77 78.5 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.773 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.64 -53.54 54.87 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.014 -0.539 . . . . 74.31 110.479 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.419 HG23 ' HB3' ' A' ' 88' ' ' CYS . 42.1 mm -57.43 -41.28 78.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.803 -0.635 . . . . 74.51 110.436 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.92 -35.23 74.45 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.631 . . . . 73.14 111.082 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.76 -37.2 79.19 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.281 -0.418 . . . . 75.3 111.16 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.03 -75.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 73.31 111.015 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.419 ' HB3' HG23 ' A' ' 84' ' ' ILE . 34.3 t -88.24 71.29 9.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.35 0.595 . . . . 65.24 110.316 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.67 170.54 16.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.684 -0.689 . . . . 63.43 109.562 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -43.92 121.21 2.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.846 0.459 . . . . 64.01 111.068 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.69 51.5 1.19 Allowed Glycine 0 C--N 1.33 0.218 0 N-CA-C 110.512 -1.035 . . . . 73.12 110.512 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 93' ' ' ALA . 32.7 t -165.25 -174.21 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.204 -0.665 . . . . 24.21 109.204 -173.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.579 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -144.02 143.64 31.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.55 -0.167 . . . . 71.11 110.55 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -157.8 165.72 34.59 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.989 0.423 . . . . 74.14 110.444 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.93 155.11 38.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 70.45 109.544 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.18 123.79 51.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 120.666 0.269 . . . . 64.42 110.626 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 13' ' ' ILE . 10.3 mp -108.22 136.77 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 62.43 110.239 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -107.31 131.45 54.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.782 -0.644 . . . . 73.32 109.899 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.516 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 7.6 tmm_? -85.81 126.65 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.829 -0.804 . . . . 61.12 108.829 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 102' ' ' LYS . 26.6 mm -80.23 149.16 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 54.42 111.188 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -75.9 35.71 0.13 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.877 -0.601 . . . . 63.34 111.53 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 100' ' ' ILE . 23.6 pttp -171.63 176.82 3.6 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 109.312 -0.625 . . . . 71.42 109.312 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.2 tm? -149.6 108.73 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.434 -0.58 . . . . 72.31 109.434 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.72 94.77 5.62 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.496 -0.557 . . . . 74.33 109.496 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.87 106.4 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.682 -0.859 . . . . 72.03 108.682 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -69.83 82.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 72.31 111.123 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -85.19 103.72 14.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.31 -0.626 . . . . 75.04 109.31 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -66.35 90.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 72.03 110.441 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -84.36 169.24 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 74.02 110.135 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 C--O 1.245 0.843 0 N-CA-C 109.626 -0.509 . . . . 63.24 109.626 175.722 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.815 -0.439 . . . . 61.23 109.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.66 114.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.417 -0.356 . . . . 51.35 110.475 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.401 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -80.99 148.48 28.61 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.39 -0.684 . . . . 64.52 111.39 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -109.87 131.42 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.77 0.285 . . . . 44.3 110.884 -177.311 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -91.08 159.36 16.15 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.737 -0.468 . . . . 73.11 109.737 174.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.493 ' OE1' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.94 -172.48 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.749 -0.463 . . . . 64.5 109.749 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' A' ' 104' ' ' GLU . 2.8 mptp? -137.2 67.6 1.43 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.139 -0.35 . . . . 73.4 111.675 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB2' ' OE1' ' A' ' 6' ' ' GLU . 16.1 mmm180 -142.32 0.74 1.35 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.102 -0.499 . . . . 64.14 110.438 171.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.75 95.22 0.05 OUTLIER Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.145 -0.48 . . . . 70.34 112.388 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -73.78 -52.4 13.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.86 0.362 . . . . 54.52 110.692 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.5 mt -115.44 92.42 2.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.228 0.537 . . . . 74.14 110.039 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -101.36 131.55 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.091 -0.959 . . . . 73.23 110.183 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG13 HD21 ' A' ' 97' ' ' LEU . 22.8 mm -113.66 115.0 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 74.35 110.069 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mp -105.52 117.89 35.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.481 -0.327 . . . . 74.03 110.342 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.591 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.4 tt -150.09 132.71 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.295 -0.411 . . . . 74.34 110.784 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.591 ' HG2' HG12 ' A' ' 15' ' ' ILE . 13.8 mm100 53.44 38.05 27.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.823 0.449 . . . . 61.21 111.621 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.34 23.51 12.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.385 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.18 138.73 52.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.435 -0.58 . . . . 75.52 109.435 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 103' ' ' LEU . 23.1 tt0 -117.14 132.84 56.57 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.395 -0.594 . . . . 63.42 109.395 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -128.78 160.09 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 62.15 110.51 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -118.56 141.61 48.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.493 -0.558 . . . . 75.03 109.493 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 25' ' ' ASN . 51.2 tp -84.81 106.8 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.608 -0.516 . . . . 74.32 109.608 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -91.48 -30.25 4.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.514 -0.312 . . . . 75.1 111.561 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -145.42 133.44 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.158 -0.312 . . . . 73.13 110.158 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.7 t30 -140.71 99.73 3.69 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.67 -0.493 . . . . 64.31 109.67 -178.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB3' ' H ' ' A' ' 94' ' ' TYR . 51.0 t80 -89.91 116.46 27.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 63.51 110.346 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 57.86 33.59 23.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.911 0.484 . . . . 63.23 111.328 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.407 ' HA ' HD21 ' A' ' 25' ' ' ASN . 2.3 m-20 58.4 30.82 20.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.853 -0.612 . . . . 73.02 110.91 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.58 -14.76 55.86 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.752 -0.658 . . . . 44.11 112.647 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 82.7 t80 -68.11 112.96 5.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.927 0.394 . . . . 74.24 110.985 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.7 105.37 9.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 53.55 109.338 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.1 tt0 -58.18 -37.01 73.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 73.44 110.823 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.579 ' HG2' ' N ' ' A' ' 34' ' ' ALA . 4.1 pm0 -56.38 -46.31 80.15 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.356 -0.384 . . . . 71.54 111.297 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.579 ' N ' ' HG2' ' A' ' 33' ' ' GLU . . . -78.89 -30.35 44.88 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.487 0.661 . . . . 75.13 109.46 -177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 61.51 110.073 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 19.5 ptmt -63.87 -19.74 65.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 54.13 111.163 -176.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.06 -47.2 16.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.556 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.618 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -89.04 -3.87 58.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.992 -0.549 . . . . 65.31 111.295 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HA ' HD12 ' A' ' 60' ' ' LEU . 87.6 t80 -72.54 139.96 47.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 73.12 111.314 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 m -133.97 140.22 46.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.57 -0.741 . . . . 45.4 109.606 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -56.69 -32.48 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.724 0.41 . . . . 62.24 111.281 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.94 -24.95 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.278 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.49 -12.65 61.17 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.281 -0.418 . . . . 72.42 111.475 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.13 -24.59 67.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.588 0.233 . . . . 75.44 111.235 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.92 -26.55 64.45 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.877 0.37 . . . . 71.52 111.245 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -83.1 -30.87 27.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.941 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.33 1.74 3.72 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.333 0.653 . . . . 72.35 111.724 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -141.62 122.02 14.04 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.914 -0.402 . . . . 63.41 109.914 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.9 mm -109.22 125.64 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.621 -0.511 . . . . 73.21 109.621 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.2 t -124.16 124.86 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 72.55 110.516 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.35 128.95 8.2 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.035 -0.826 . . . . 61.52 111.035 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.37 147.32 47.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.947 0.403 . . . . 72.02 111.576 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -104.19 -8.37 19.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.591 -0.731 . . . . 71.22 110.982 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.19 -23.71 73.2 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.345 -0.702 . . . . 62.41 111.345 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -74.13 -9.18 58.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.214 0.53 . . . . 74.31 110.325 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.53 -54.41 4.14 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.812 -0.515 . . . . 64.05 111.812 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -99.54 129.96 45.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.667 -0.494 . . . . 72.54 109.667 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.78 102.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.049 0.452 . . . . 73.41 109.948 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.35 136.67 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.442 -0.577 . . . . 74.02 109.442 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 39' ' ' TYR . 86.2 mt -92.72 122.0 34.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.969 0.414 . . . . 62.21 111.015 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -109.69 173.96 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 74.14 109.05 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.95 149.63 21.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.843 -0.694 . . . . 74.33 111.884 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' A' ' 80' ' ' LEU . 90.0 m-85 -136.05 165.42 25.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.73 -0.47 . . . . 71.34 109.73 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -103.16 170.85 7.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.128 -0.323 . . . . 74.11 110.128 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.47 107.76 0.54 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.424 0.63 . . . . 74.1 110.768 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB2' HG23 ' A' ' 77' ' ' ILE . 12.4 t70 -83.24 -50.03 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.27 -0.877 . . . . 72.53 108.793 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 98.0 mt-30 -92.87 104.37 16.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.004 -0.998 . . . . 64.44 109.032 171.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.45 -5.38 52.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.301 0.572 . . . . 71.24 110.322 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.94 81.84 1.2 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.781 -0.645 . . . . 72.13 110.522 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 42.2 mtmt -75.17 103.54 5.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.611 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -172.62 -91.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 52.35 110.364 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -110.79 2.23 18.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.709 0.29 . . . . 64.21 110.89 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.411 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 73.1 m-85 -121.13 -104.22 0.39 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 119.474 -0.298 . . . . 74.31 110.295 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 67' ' ' GLN . 14.0 pt-20 45.38 15.86 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.095 0.958 . . . . 61.03 113.047 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -129.02 -27.74 2.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 111.913 0.338 . . . . 43.52 111.913 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 27.0 tptp -76.82 69.71 3.19 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.101 -0.703 . . . . 51.05 109.101 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.631 HG23 ' HB2' ' A' ' 66' ' ' ASP . 55.8 mt -68.28 103.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.041 -0.982 . . . . 73.24 110.162 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 t -57.48 -49.05 77.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.31 -0.404 . . . . 62.03 111.143 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -57.93 -27.29 63.24 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.983 0.42 . . . . 72.53 111.011 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.512 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -78.36 -43.41 27.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.132 -0.485 . . . . 73.23 110.199 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.25 -41.99 76.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.362 0.601 . . . . 72.12 109.897 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 12.3 mm-40 -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.217 -0.901 . . . . 73.34 109.985 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -58.47 -34.89 71.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.502 -0.772 . . . . 74.4 110.57 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.5 mm -67.23 -44.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.052 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -58.63 -31.65 68.3 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.068 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 8.4 mm-40 -60.77 -49.36 77.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 72.21 111.216 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -90.51 -55.36 3.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 75.53 110.555 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -81.39 87.19 6.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 63.34 111.356 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -83.72 -32.59 25.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.748 -0.834 . . . . 72.24 108.748 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -173.41 146.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.812 -1.086 . . . . 74.23 108.607 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.37 84.03 0.1 OUTLIER Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.9 -0.667 . . . . 75.35 112.041 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p -151.08 177.77 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 62.22 110.386 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.36 124.41 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.728 -0.841 . . . . 71.41 108.728 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.455 ' H ' ' HB3' ' A' ' 26' ' ' PHE . 32.4 p90 -148.13 155.67 41.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.88 0.372 . . . . 75.11 110.573 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 43.6 p90 -133.02 148.98 52.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 75.24 110.231 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -128.64 120.55 52.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.15 -0.477 . . . . 62.1 110.156 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -106.26 143.14 34.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.729 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.59 127.02 53.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.726 -0.67 . . . . 71.02 110.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.8 107.72 3.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.246 -0.434 . . . . 72.51 110.511 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.9 mm -68.51 141.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.096 -0.705 . . . . 75.3 109.096 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -71.12 2.16 4.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.555 0.576 . . . . 62.22 112.555 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 3' ' ' GLY . 20.5 ptmt -175.05 -172.33 0.59 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.47 0.176 . . . . 63.05 110.718 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 103' ' ' LEU . 1.8 mm? -107.99 126.79 53.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.071 -0.714 . . . . 74.44 109.071 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' A' ' 7' ' ' LYS . 6.4 tp10 -68.86 147.78 51.21 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.123 0.487 . . . . 71.21 110.534 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -70.75 145.68 50.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.701 . . . . 75.25 111.306 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m80 72.07 -26.19 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.436 0.902 . . . . 53.22 113.436 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -61.39 -38.12 85.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.522 0.201 . . . . 73.12 111.008 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -85.88 117.24 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.868 -0.419 . . . . 72.24 109.868 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -67.66 162.97 22.46 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.324 -0.398 . . . . 63.13 111.78 -177.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.0 m80 . . . . . 0 C--O 1.247 0.956 0 N-CA-C 108.689 -0.856 . . . . 52.43 108.689 171.68 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.881 -0.414 . . . . 74.42 109.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -151.47 142.59 16.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.838 0.351 . . . . 70.12 110.802 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.6 116.06 1.0 Allowed Glycine 0 C--O 1.236 0.247 0 N-CA-C 111.363 -0.695 . . . . 65.22 111.363 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt -73.4 -80.19 0.07 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.743 0.306 . . . . 65.43 110.628 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t 179.93 142.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 73.44 109.711 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.23 -177.94 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 73.03 110.413 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -135.15 21.0 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.523 -0.547 . . . . 74.41 109.523 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -108.01 153.29 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 74.34 110.668 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.43 60.01 0.48 Allowed Glycine 0 CA--C 1.506 -0.519 0 N-CA-C 109.811 -1.316 . . . . 73.32 109.811 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.95 -57.59 5.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.58 -0.31 . . . . 74.41 110.519 -171.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 58.5 mt -140.95 79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.953 -0.758 . . . . 74.11 108.953 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.77 108.67 14.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.512 -0.767 . . . . 72.31 111.671 -173.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.526 HG13 HD21 ' A' ' 97' ' ' LEU . 15.9 mm -101.55 99.56 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.781 . . . . 62.41 109.756 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -93.06 116.91 29.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.137 -0.32 . . . . 71.11 110.137 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.5 131.94 16.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.948 0.404 . . . . 64.02 110.933 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 49.63 62.0 2.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.684 -0.689 . . . . 72.12 112.466 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 66.84 5.64 4.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.084 -0.507 . . . . 73.34 112.127 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.06 133.26 53.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.993 0.425 . . . . 74.32 111.071 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -95.55 125.12 39.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.687 -0.688 . . . . 64.21 109.315 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.09 166.11 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.723 -0.473 . . . . 65.21 109.723 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -147.91 152.58 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.428 -0.582 . . . . 74.12 109.428 166.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.27 100.99 2.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.076 -0.511 . . . . 61.2 109.99 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.59 -8.12 10.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.318 -0.401 . . . . 53.31 111.416 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 8.0 t-80 -160.79 133.24 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 73.22 110.018 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -130.39 154.52 47.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.327 -0.62 . . . . 64.01 109.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.67 111.88 7.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.018 -0.734 . . . . 75.25 109.018 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 20.2 ttmm 64.83 20.0 12.0 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.75 0.656 . . . . 72.42 110.812 173.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.67 47.03 19.12 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.484 -0.78 . . . . 75.33 110.921 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.19 11.11 59.0 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.623 -0.717 . . . . 75.01 112.308 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -84.6 112.65 20.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.892 0.377 . . . . 74.24 110.663 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -121.86 117.68 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.024 -0.732 . . . . 53.42 109.024 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -56.59 -49.04 76.08 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.089 0.243 . . . . 73.55 110.915 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.03 -44.26 87.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 71.42 111.016 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 65.44 110.253 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.97 -59.06 5.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.503 -0.771 . . . . 75.24 110.855 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 16.6 ptmt -69.64 -34.83 74.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 72.55 111.805 -172.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.44 -28.03 56.45 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.885 0.374 . . . . 64.11 111.668 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 4.3 mmp_? -107.2 9.46 30.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.828 0.347 . . . . 73.1 110.487 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.527 ' HA ' HD22 ' A' ' 60' ' ' LEU . 74.2 t80 -70.22 121.22 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 73.52 110.432 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.715 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 23.8 m -90.87 128.44 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.645 -0.502 . . . . 72.15 109.645 175.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.26 -38.41 68.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.166 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.59 -30.77 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.015 -0.539 . . . . 61.45 111.654 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.715 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 84.0 mt -65.39 -24.36 67.2 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.838 0.351 . . . . 64.2 111.181 -176.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.27 -26.23 64.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.547 . . . . 61.34 111.071 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.97 -13.99 59.9 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.668 -0.696 . . . . 71.23 111.396 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 43' ' ' LEU . 96.5 m-85 -90.7 -20.14 22.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.985 0.365 . . . . 72.02 111.985 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER 72.53 1.74 4.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.824 0.45 . . . . 75.25 112.183 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 25.5 m-85 -136.31 130.13 32.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.962 -0.384 . . . . 72.52 109.962 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -125.24 113.95 37.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 123.493 0.496 . . . . 72.04 109.792 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.04 133.55 68.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 75.02 110.513 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.09 128.7 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.824 -0.91 . . . . 62.3 110.824 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -114.13 158.04 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.334 0.588 . . . . 65.21 111.158 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -110.93 28.1 9.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.095 -0.957 . . . . 70.42 109.34 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.63 -63.53 5.02 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.9 -0.591 . . . . 55.33 112.781 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -74.16 -29.48 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 74.23 110.241 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.56 -47.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.168 -0.773 . . . . 70.55 111.168 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.6 108.21 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.817 -0.438 . . . . 72.51 109.817 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.89 121.38 9.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 62.14 110.188 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -136.78 136.48 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 70.32 110.116 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 39' ' ' TYR . 6.1 mp -92.99 151.19 20.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.531 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -144.21 155.28 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.676 -0.49 . . . . 75.31 109.676 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 48' ' ' TYR . . . -112.27 143.53 17.57 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.278 -0.487 . . . . 75.02 112.555 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 86.8 m-85 -144.55 177.35 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.981 0.513 . . . . 61.34 109.9 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -124.54 156.85 36.66 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.744 -0.835 . . . . 71.43 108.744 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HA ' HG12 ' A' ' 77' ' ' ILE . 1.3 p30 -78.18 108.19 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 61.43 110.47 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.78 -45.36 94.22 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.362 -0.835 . . . . 65.4 110.117 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 64.65 2.72 1.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 114.776 -1.102 . . . . 74.11 111.526 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -97.47 66.63 2.02 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.547 0.689 . . . . 64.11 109.204 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 44.3 mm-40 -159.86 -146.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.667 -1.151 . . . . 74.31 108.505 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.4 mptt -67.43 81.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.515 -0.92 . . . . 64.42 108.515 173.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.82 -156.7 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.536 -0.756 . . . . 63.23 112.673 -169.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m 78.57 2.23 2.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.652 0.739 . . . . 75.24 110.123 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.545 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 94.7 m-85 -137.42 130.14 30.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.502 -0.772 . . . . 71.43 109.395 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -74.03 -14.89 61.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 71.42 110.965 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 p -95.61 18.22 13.29 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.928 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.545 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 72.6 mmtt -85.67 104.58 15.52 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.071 0.463 . . . . 72.22 111.501 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.666 HG12 ' HA ' ' A' ' 65' ' ' ASP . 49.4 mt -111.32 122.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 71.25 109.781 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -78.27 -44.99 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 72.44 110.107 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 t -64.01 -20.11 65.67 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.495 -0.321 . . . . 60.34 110.883 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' H ' HG22 ' A' ' 77' ' ' ILE . 57.9 tp -76.73 -37.2 56.42 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.115 -0.328 . . . . 75.52 110.115 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.05 -42.86 91.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.238 0.542 . . . . 73.21 109.956 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 17.6 mm-40 -64.04 -48.75 75.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.476 -0.784 . . . . 73.11 110.326 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -51.65 -46.71 63.81 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.467 -0.788 . . . . 75.02 111.461 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 80' ' ' LEU . 49.2 mm -63.07 -42.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.317 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -63.91 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.702 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.0 mt-10 -78.64 -49.48 13.12 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.24 -0.436 . . . . 73.24 111.175 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.71 -78.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.32 112.035 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.2 t -84.47 64.95 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.392 0.615 . . . . 74.14 110.644 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -105.88 11.11 32.19 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.474 0.654 . . . . 73.41 110.089 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.11 -162.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.627 -0.715 . . . . 74.35 109.83 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.68 46.83 3.16 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.969 -0.634 . . . . 51.45 112.315 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.2 p -96.66 -164.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.747 0.419 . . . . 74.15 110.544 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.97 32.5 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.041 -0.355 . . . . 41.31 110.041 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -166.63 168.43 14.5 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.863 0.363 . . . . 73.3 110.857 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -141.8 146.49 35.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 75.22 110.212 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 60.3 t -128.32 119.15 49.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 120.789 0.328 . . . . 64.31 110.671 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -107.66 136.59 47.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 74.34 110.024 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.78 139.52 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 75.22 109.877 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 102.05 5.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.682 -0.488 . . . . 74.32 109.682 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 102' ' ' LYS . 42.3 mm -65.04 147.27 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.815 -0.629 . . . . 71.43 109.474 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -77.98 -3.78 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.589 -0.278 . . . . 64.12 111.466 -173.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.548 ' H ' HG22 ' A' ' 100' ' ' ILE . 25.6 mtmm -95.22 169.94 9.74 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 110.224 -0.287 . . . . 73.23 110.224 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -173.95 110.47 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.195 -0.669 . . . . 45.42 109.195 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -109.61 153.41 24.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.063 -0.517 . . . . 72.02 109.715 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -80.16 170.01 17.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.178 0.514 . . . . 74.12 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -76.66 -8.67 57.72 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.268 0.84 . . . . 75.22 113.268 -167.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 58.64 20.22 7.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 111.673 0.249 . . . . 62.4 111.673 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -74.69 97.96 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 74.12 110.888 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -133.42 -2.87 3.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 71.14 109.874 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.543 -0.741 . . . . 74.11 109.2 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 111.311 0.115 . . . . 61.24 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.19 105.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.226 0.536 . . . . 72.5 109.711 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.27 -45.33 0.2 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.405 -1.078 . . . . 61.52 110.405 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 89.6 mtp -97.61 113.25 24.94 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.805 -0.813 . . . . 74.25 108.805 171.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m -59.67 128.58 37.66 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.18 0.3 . . . . 71.53 110.733 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -76.26 128.92 35.87 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.528 -0.915 . . . . 71.14 108.528 174.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HE3' ' HB2' ' A' ' 7' ' ' LYS . 28.9 ttmt -95.27 146.17 24.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.168 -0.469 . . . . 62.41 111.505 -168.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 21.8 ptt85 -58.87 166.82 1.8 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.277 -0.874 . . . . 74.32 111.45 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.17 177.91 42.63 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.904 -0.589 . . . . 70.41 112.027 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.548 ' HG2' HG13 ' A' ' 11' ' ' ILE . 36.6 tt0 -155.19 -76.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.652 -0.499 . . . . 62.21 109.652 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.5 mt -132.52 93.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 63.45 109.604 176.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 32.23 109.993 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 20.1 mm -99.99 114.05 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.265 -0.425 . . . . 54.32 110.017 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -108.75 111.71 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.984 -0.376 . . . . 74.3 109.984 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -145.46 142.82 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 64.25 109.433 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.3 mm100 58.47 23.35 10.6 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.739 0.304 . . . . 63.43 110.444 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 m120 62.45 36.52 14.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.319 0.581 . . . . 73.11 110.673 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.8 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.583 -0.735 . . . . 64.31 109.14 173.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.43 124.92 50.1 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.177 0.298 . . . . 75.45 110.419 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 53.6 m-85 -122.13 159.15 27.77 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.308 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -125.24 138.63 54.11 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.241 -0.651 . . . . 54.41 109.241 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.6 tp -81.13 100.33 9.0 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.969 0.414 . . . . 65.22 109.994 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.19 -14.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 73.54 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -163.53 132.94 4.05 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.915 0.388 . . . . 73.5 111.621 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 30' ' ' PHE . 49.2 t-20 -123.23 132.65 54.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.16 -1.052 . . . . 65.04 108.16 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 73.2 t80 -122.71 110.18 15.18 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 72.3 109.993 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 55.26 53.09 10.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.649 0.593 . . . . 74.53 111.287 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.64 27.29 15.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.966 0.412 . . . . 73.03 110.52 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.68 96.89 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.746 -0.661 . . . . 53.11 112.719 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 59.9 t80 -73.89 94.84 2.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 75.23 111.491 -177.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -109.08 113.11 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.407 -0.96 . . . . 61.52 108.407 169.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.9 tt0 -57.39 -41.75 80.87 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.964 -0.384 . . . . 74.05 109.964 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.35 -44.08 64.99 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.369 -0.832 . . . . 74.32 111.223 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.33 -38.74 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 42.42 110.495 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.74 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 74.12 110.909 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.9 ptmt -63.63 -24.13 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 70.23 111.36 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.15 -26.81 35.78 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.329 -0.396 . . . . 73.12 111.186 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -99.32 -21.48 16.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.351 -0.386 . . . . 62.23 111.152 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.88 131.7 48.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.082 0.468 . . . . 73.53 112.079 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t -124.44 156.89 36.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.38 -0.827 . . . . 72.41 110.062 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.69 -17.04 62.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.269 -0.423 . . . . 52.52 111.131 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -59.22 -28.65 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.24 0.543 . . . . 75.01 110.441 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 49' ' ' ILE . 71.2 mt -81.77 -13.93 57.09 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.597 -0.729 . . . . 65.15 111.398 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -60.22 -33.76 72.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.466 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.41 -11.53 60.27 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.236 -0.438 . . . . 44.42 111.974 -175.132 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 97.6 m-85 -89.35 -31.19 17.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.773 -0.194 . . . . 72.42 111.136 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 69.03 1.46 3.19 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.139 0.576 . . . . 63.43 112.011 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -134.77 115.32 13.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.162 -0.681 . . . . 73.34 109.162 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.2 mm -112.4 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 73.21 110.338 -175.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 96' ' ' VAL . 61.5 t -113.85 148.34 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.578 -0.527 . . . . 74.01 109.578 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.74 121.3 2.11 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.331 -0.708 . . . . 61.25 111.331 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -103.84 138.37 40.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.002 -0.369 . . . . 75.12 110.002 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -81.83 -30.27 32.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 73.33 109.826 175.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.12 -79.23 0.01 OUTLIER Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.535 -0.757 . . . . 55.32 112.158 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -128.89 -21.69 3.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 75.15 110.17 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.41 -31.88 0.39 Allowed Glycine 0 C--O 1.234 0.144 0 N-CA-C 111.054 -0.819 . . . . 74.23 111.054 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.48 88.58 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.392 -0.595 . . . . 71.33 109.392 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 59' ' ' ARG . 1.7 tt -67.97 125.7 27.14 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.389 -174.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 83' ' ' TYR . 22.6 ttm-85 -122.95 132.17 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.705 . . . . 74.41 110.158 -177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.17 141.51 31.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.871 0.367 . . . . 54.12 110.088 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -139.5 130.4 26.22 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.911 -0.774 . . . . 73.23 108.911 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.04 141.04 16.07 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.882 -0.675 . . . . 70.34 111.705 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.66 165.28 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 73.44 110.589 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 154.73 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.896 -0.779 . . . . 64.43 108.896 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -70.69 113.41 7.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 72.32 111.121 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -75.87 -44.06 42.57 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.793 -0.64 . . . . 74.34 109.605 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.542 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 11.1 mm100 -79.79 102.75 9.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.684 . . . . 70.34 109.639 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -94.16 -5.2 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.029 0.442 . . . . 74.13 110.391 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -99.66 168.54 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 35.21 109.939 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -74.42 85.92 2.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 74.51 110.234 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.29 169.01 13.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 61.12 110.402 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.8 m -59.92 -35.41 74.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.088 0.471 . . . . 62.32 110.113 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -109.37 135.19 50.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.087 -0.708 . . . . 72.03 109.087 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -80.87 33.92 0.33 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.367 0.603 . . . . 64.43 111.058 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -152.89 -81.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.92 -0.582 . . . . 74.32 109.46 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 49.8 tptt 44.45 35.01 1.19 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.825 0.821 . . . . 74.0 111.098 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 66.7 mt -57.38 118.34 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.262 -0.881 . . . . 71.43 110.292 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 t -62.33 -44.24 96.96 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.646 -0.252 . . . . 61.04 111.192 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -63.25 -25.98 68.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.235 0.541 . . . . 62.1 110.136 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 45.1 tp -75.82 -41.42 52.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 53.54 110.128 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.33 -33.73 71.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.722 -0.672 . . . . 70.21 110.017 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.19 -49.18 15.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.504 -0.771 . . . . 63.12 110.167 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 59' ' ' ARG . 87.7 t80 -53.58 -44.85 69.7 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.373 -0.831 . . . . 64.45 111.628 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.72 -48.31 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.429 -0.35 . . . . 65.41 110.661 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -57.81 -27.48 63.17 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.11 -0.495 . . . . 50.52 111.712 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.39 -31.12 57.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.751 0.31 . . . . 75.14 111.156 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -110.75 -56.49 2.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.926 0.394 . . . . 72.54 111.733 -173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.26 114.29 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.13 110.378 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -112.22 -53.73 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.673 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -160.72 150.21 17.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.142 -0.318 . . . . 72.32 110.142 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.19 2.58 67.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.231 -0.509 . . . . 75.33 111.864 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.4 p -112.8 178.29 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.706 0.402 . . . . 71.54 110.039 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -139.07 162.29 35.3 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.474 -0.33 . . . . 65.32 110.986 -176.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.82 177.16 8.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.005 -0.543 . . . . 75.03 109.913 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.7 152.53 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.544 -0.298 . . . . 72.4 110.733 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.457 HG13 HG22 ' A' ' 50' ' ' VAL . 44.4 t -128.75 120.17 51.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.843 0.354 . . . . 72.42 110.612 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.87 136.42 48.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.06 -0.518 . . . . 72.0 110.382 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -111.28 117.38 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.93 -0.577 . . . . 65.43 109.585 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.696 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 2.2 tmm_? -83.11 130.99 35.16 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.764 -0.458 . . . . 60.23 109.764 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mm -76.29 3.93 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.162 -0.472 . . . . 51.42 111.536 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.696 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 17.3 mtp180 57.84 13.9 2.29 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.608 0.718 . . . . 43.04 110.255 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.606 ' HG2' ' N ' ' A' ' 103' ' ' LEU . 21.1 ttmm -134.32 167.24 21.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.179 -0.919 . . . . 74.41 109.776 -170.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.606 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 2.8 tm? -145.8 93.83 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 168.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.1 86.27 7.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.563 . . . . 62.34 109.818 -175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -77.03 124.77 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.434 -0.803 . . . . 71.55 111.252 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -66.01 148.47 51.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.858 -0.61 . . . . 71.45 109.655 171.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -154.12 139.53 17.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.674 0.273 . . . . 65.42 110.787 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -77.02 137.19 38.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 73.43 110.18 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.64 -5.73 19.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.778 . . . . 72.03 108.898 170.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-N 114.834 -1.076 . . . . 74.05 108.835 178.27 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.839 -0.43 . . . . 63.42 109.839 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 pt -67.49 -33.03 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.0 0.429 . . . . 74.35 110.644 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.07 146.46 18.12 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.235 -0.746 . . . . 31.2 111.235 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.5 mmt -107.58 170.58 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.65 0.262 . . . . 60.31 110.892 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -60.8 134.6 57.25 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 63.03 111.101 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -105.47 94.14 5.05 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.01 -0.541 . . . . 63.2 110.503 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -97.0 -23.79 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 64.42 110.303 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -139.22 140.47 37.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 73.14 110.189 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.81 143.49 14.37 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.096 -0.502 . . . . 73.42 112.858 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.26 -55.5 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.382 -0.97 . . . . 73.43 108.382 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HD23 ' A' ' 22' ' ' LEU . 63.8 mt -136.62 90.68 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.602 -0.888 . . . . 62.45 108.602 171.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.51 131.42 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 73.12 110.302 -176.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 24.0 mm -113.83 121.91 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.345 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.72 112.7 24.57 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.981 -0.377 . . . . 70.52 109.981 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -146.93 147.02 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.362 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.0 mm100 53.38 28.24 7.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.897 0.479 . . . . 54.14 111.535 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 45.0 m-80 64.21 44.57 4.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.933 -0.576 . . . . 64.42 110.809 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.59 138.88 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.572 . . . . 74.34 109.625 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 100' ' ' ILE . 19.1 tt0 -90.46 140.38 29.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.586 -0.524 . . . . 73.43 109.586 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 90.5 m-85 -134.43 158.9 42.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.954 -0.387 . . . . 75.33 109.954 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -131.28 145.1 51.75 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.524 -0.547 . . . . 64.51 109.524 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.447 HD23 HD12 ' A' ' 11' ' ' ILE . 50.9 tp -80.6 117.84 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.699 -0.482 . . . . 72.12 109.699 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.87 -22.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.606 0.241 . . . . 72.33 111.444 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.98 138.86 20.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.706 0.288 . . . . 73.01 111.033 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 32.4 t30 -157.57 142.74 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.629 -0.714 . . . . 74.41 109.547 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' HD1' ' HB2' ' A' ' 27' ' ' LYS . 13.6 t80 -149.28 136.67 20.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.688 -0.486 . . . . 72.13 109.688 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 65.16 28.28 12.2 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.709 0.631 . . . . 60.42 110.567 176.425 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.6 25.93 12.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 71.31 110.351 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.55 -29.34 60.79 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.786 -0.643 . . . . 51.33 112.31 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -70.1 97.52 1.19 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.372 0.606 . . . . 65.52 110.983 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.9 106.8 14.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.231 -0.895 . . . . 75.04 108.6 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 40.5 tt0 -49.56 -44.72 46.96 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.443 0.464 . . . . 74.32 110.977 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.33 -35.99 72.73 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.039 -0.528 . . . . 72.33 111.151 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.88 62.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.004 0.43 . . . . 73.2 110.292 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.8 -57.86 10.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.653 -0.703 . . . . 74.01 110.694 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.5 ptmm? -61.39 -29.34 69.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.527 . . . . 75.52 111.311 -177.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.2 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.956 0.407 . . . . 61.55 110.774 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -78.47 -26.85 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 73.12 111.521 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.27 124.06 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.155 0.502 . . . . 74.01 111.704 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.7 t -118.33 152.71 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 70.11 108.671 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -60.32 -31.6 70.44 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.622 0.249 . . . . 61.22 111.425 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.0 tp -61.15 -28.94 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.892 0.377 . . . . 54.23 111.159 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.63 -18.95 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.76 0.314 . . . . 72.44 111.308 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.7 -27.05 68.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.457 -0.338 . . . . 65.21 111.335 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.03 -18.37 65.3 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.307 -0.406 . . . . 72.44 111.374 -176.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 48' ' ' TYR . 95.6 m-85 -82.98 -25.06 32.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.438 -0.346 . . . . 62.54 110.301 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 3.2 p30 48.26 11.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.688 1.195 . . . . 43.31 113.744 -174.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' H ' ' C ' ' A' ' 46' ' ' TYR . 69.3 m-85 -137.24 114.53 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.332 -0.988 . . . . 72.13 108.332 169.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mm -114.51 114.85 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 73.33 110.381 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 80' ' ' LEU . 99.5 t -104.66 111.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.202 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.54 119.81 5.95 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.933 -0.867 . . . . 73.52 110.933 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -120.0 129.01 54.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -85.4 -41.91 15.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.634 -0.506 . . . . 74.41 109.634 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.49 -90.99 0.01 OUTLIER Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.444 -0.798 . . . . 72.44 114.071 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -88.32 1.78 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 72.5 111.218 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.37 26.69 6.45 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.148 -0.478 . . . . 42.12 112.039 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.5 119.08 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 65.54 109.718 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.04 108.96 15.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 72.42 110.202 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 59' ' ' ARG . 41.2 ttm180 -124.72 140.17 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 71.4 109.593 176.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.82 112.37 24.31 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.038 0.447 . . . . 61.13 110.014 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -105.47 122.51 46.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.589 -0.893 . . . . 64.23 108.589 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.55 142.67 18.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.87 -0.681 . . . . 70.34 112.666 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -130.13 168.44 16.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 64.43 110.328 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -107.65 170.2 8.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.962 -0.563 . . . . 73.21 109.843 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -61.59 130.3 45.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.046 0.451 . . . . 73.54 110.239 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' HG23 ' A' ' 77' ' ' ILE . 28.2 t70 -118.45 166.91 12.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.895 -0.593 . . . . 72.43 109.986 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' GLN . 28.2 mm-40 68.08 -73.39 0.08 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.833 0.708 . . . . 53.41 109.519 -175.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.0 t30 53.69 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.62 0.768 . . . . 73.2 112.489 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' GLN . 40.0 mt-30 -85.04 -33.11 22.56 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.827 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -87.75 87.03 7.25 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.784 -0.45 . . . . 74.13 109.784 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.63 140.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.682 -0.69 . . . . 72.5 111.062 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -79.13 80.59 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.523 . . . . 62.52 111.29 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -114.89 98.57 6.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 73.21 109.897 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.79 -29.23 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.232 0.539 . . . . 53.25 110.065 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -84.76 -25.68 28.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 64.23 111.65 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.53 116.13 30.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.928 0.395 . . . . 75.3 111.479 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 66' ' ' ASP . 65.9 mt -95.3 112.03 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.866 -0.791 . . . . 75.02 108.866 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -62.85 -47.06 85.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.672 -0.24 . . . . 72.33 111.349 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -62.59 -24.59 67.64 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.933 0.397 . . . . 71.44 110.636 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD21 HG21 ' A' ' 96' ' ' VAL . 60.3 tp -73.76 -38.14 64.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.155 -0.475 . . . . 61.15 110.282 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.66 -39.25 73.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 60.5 109.979 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.3 -38.15 60.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 65.2 110.218 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.29 -55.14 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.288 -0.869 . . . . 62.24 110.857 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.48 HG23 ' HB3' ' A' ' 88' ' ' CYS . 49.3 mm -60.92 -37.5 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 73.31 110.41 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.22 -28.64 63.07 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.745 -0.662 . . . . 74.42 110.512 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.43 -51.82 7.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.951 -0.568 . . . . 72.25 110.756 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -80.2 -84.81 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.989 -0.55 . . . . 74.52 111.38 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 84' ' ' ILE . 38.8 t -75.84 97.44 3.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.853 0.358 . . . . 44.11 110.276 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -49.63 119.68 3.63 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.032 -0.531 . . . . 63.22 110.009 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -44.81 98.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.749 0.656 . . . . 73.43 110.758 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -22.38 1.19 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.222 -0.899 . . . . 71.21 111.019 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.434 ' SG ' ' C ' ' A' ' 88' ' ' CYS . 3.9 p -88.75 -167.89 2.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.436 0.294 . . . . 65.3 110.473 175.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.17 133.8 49.34 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.388 0.514 . . . . 70.52 112.388 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -160.0 167.02 28.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.487 -0.779 . . . . 75.01 109.129 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -158.06 160.23 37.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.73 0.3 . . . . 70.25 110.827 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.454 HG21 HD21 ' A' ' 80' ' ' LEU . 40.9 t -139.93 123.17 17.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.358 -0.383 . . . . 63.15 110.205 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 13' ' ' ILE . 10.0 mp -107.39 140.99 39.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.973 0.416 . . . . 72.43 110.812 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -111.21 130.39 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.331 -0.85 . . . . 75.35 109.653 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 47' ' ' ASP . 3.7 tmm_? -79.38 122.28 26.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.097 0.475 . . . . 71.33 110.465 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 39.5 mm -85.16 144.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 74.22 110.011 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' H ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -90.15 58.42 4.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.084 0.469 . . . . 75.13 111.056 -178.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 39.0 mttt -153.76 151.52 29.68 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.65 -0.704 . . . . 73.03 110.623 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 104' ' ' GLU . 1.3 tm? 175.38 143.67 0.06 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.694 -1.225 . . . . 73.25 107.694 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.614 ' N ' HD13 ' A' ' 103' ' ' LEU . 1.8 mp0 -57.36 121.9 11.3 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.724 0.297 . . . . 74.03 111.083 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 113.42 5.67 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.564 -0.902 . . . . 73.41 108.564 172.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -58.64 -19.38 38.48 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.448 0.536 . . . . 75.21 112.448 -170.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.24 52.03 1.73 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.043 0.449 . . . . 73.22 110.393 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -91.1 3.46 54.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.101 -0.5 . . . . 74.34 110.42 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -157.0 168.15 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 64.33 110.291 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.352 -0.832 . . . . 74.13 109.473 -179.682 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.942 0.401 . . . . 74.42 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -113.2 121.29 65.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.317 -0.402 . . . . 62.32 110.296 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.77 15.03 66.16 Favored Glycine 0 C--N 1.33 0.244 0 CA-C-N 116.203 -0.453 . . . . 74.44 113.147 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.2 ttm -66.1 152.08 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.208 -0.293 . . . . 64.04 110.208 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -57.0 104.21 0.15 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.291 0.567 . . . . 51.04 112.331 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -94.72 141.37 28.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.449 -0.796 . . . . 70.04 109.306 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -133.11 -61.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.024 0.44 . . . . 73.34 110.377 -177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -164.56 29.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.554 . . . . 74.02 110.211 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.0 -110.76 2.59 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.099 -0.801 . . . . 55.31 111.099 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 11' ' ' ILE . 34.3 tt0 -159.97 -60.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.778 0.289 . . . . 42.23 110.422 175.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' HG2' ' A' ' 10' ' ' GLU . 68.0 mt -130.63 101.94 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.301 -0.409 . . . . 72.25 110.34 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.9 OUTLIER -106.85 135.42 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.812 -0.44 . . . . 74.1 109.812 177.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 HD21 ' A' ' 97' ' ' LEU . 23.4 mm -110.2 108.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 62.22 110.625 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -99.46 126.86 45.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.023 0.44 . . . . 71.15 110.06 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.79 HG12 ' H ' ' A' ' 16' ' ' GLN . 11.0 tt -144.82 -173.09 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.334 -0.617 . . . . 62.51 109.334 -175.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.79 ' H ' HG12 ' A' ' 15' ' ' ILE . 15.6 mm100 -43.03 99.9 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.226 0.61 . . . . 72.22 112.561 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 55.95 27.58 11.37 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.881 -0.599 . . . . 75.02 111.393 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.4 132.82 22.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.842 0.353 . . . . 71.1 111.457 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' HB2' HD23 ' A' ' 103' ' ' LEU . 32.7 tt0 -117.69 119.22 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.546 -0.909 . . . . 73.44 108.546 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.13 168.63 11.01 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.295 0.238 . . . . 70.22 110.513 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' MET . 14.8 pt-20 -136.87 143.67 43.15 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.601 -0.518 . . . . 74.43 109.601 169.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 43.6 tp -79.54 100.38 7.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 61.41 109.604 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.38 -16.51 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.108 -0.496 . . . . 63.31 111.262 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -159.28 133.64 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.555 -0.293 . . . . 62.41 110.508 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 28' ' ' ASP . 50.2 t30 -144.03 114.6 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 63.12 109.905 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -102.99 130.23 50.02 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.5 -0.318 . . . . 71.33 110.222 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.47 13.51 8.9 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.125 0.57 . . . . 75.31 110.682 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 m-20 54.99 33.02 19.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.657 -0.701 . . . . 75.01 110.336 -172.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.89 -4.38 40.83 Favored Glycine 0 C--N 1.334 0.442 0 CA-C-N 115.467 -0.788 . . . . 25.41 112.767 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 71.3 t80 -62.02 103.1 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 75.33 110.767 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' OD1' ' HG3' ' A' ' 33' ' ' GLU . 24.9 t-20 -110.3 101.5 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.829 -0.804 . . . . 61.42 108.829 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -56.18 -51.69 67.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.875 -0.602 . . . . 75.04 111.817 -172.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HG3' ' OD1' ' A' ' 31' ' ' ASN . 7.3 pt-20 -55.77 -39.69 71.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.454 -0.339 . . . . 75.25 111.311 -177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HG ' ' A' ' 58' ' ' LEU . . . -67.18 -44.83 78.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.93 0.395 . . . . 73.32 110.558 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.36 -57.06 14.3 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.69 -0.686 . . . . 71.31 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.28 -19.36 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 73.44 111.7 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.56 -24.03 34.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.811 0.338 . . . . 71.11 111.169 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 5.6 mmp_? -109.2 -4.14 16.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.331 -0.395 . . . . 75.44 111.555 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 60' ' ' LEU . 85.3 t80 -60.54 115.69 3.78 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.856 0.36 . . . . 74.35 111.858 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 45.6 m -95.44 122.2 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 74.44 109.46 173.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -50.59 -40.68 53.13 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.34 0.496 . . . . 63.25 112.34 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tp -55.16 -28.16 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 120.981 0.419 . . . . 75.5 111.875 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 93.1 mt -67.6 -21.14 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 72.14 111.645 -176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.81 -28.61 66.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.005 0.431 . . . . 75.35 111.124 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -60.75 -31.94 71.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.83 -0.623 . . . . 64.54 111.363 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 34.8 m-85 -68.91 -24.2 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 74.41 111.614 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t70 72.61 -0.69 3.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.246 0.618 . . . . 43.03 111.007 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -145.95 115.43 7.16 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.282 -0.417 . . . . 73.51 110.068 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 43' ' ' LEU . 34.6 mm -117.62 117.15 54.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.248 -0.433 . . . . 64.41 109.921 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 96' ' ' VAL . 43.6 t -116.78 122.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.554 -0.294 . . . . 74.13 110.532 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -105.23 121.68 6.96 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.66 -0.576 . . . . 65.02 111.66 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -111.22 153.59 25.62 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.044 0.45 . . . . 62.43 111.24 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -111.15 37.34 2.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.474 -0.785 . . . . 75.44 109.661 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -56.34 15.81 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.725 -0.67 . . . . 60.4 113.525 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.57 1.73 56.61 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.936 0.398 . . . . 72.24 110.069 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.58 -26.29 20.69 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.432 -1.067 . . . . 75.34 110.432 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.65 123.06 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.638 -0.505 . . . . 65.45 109.638 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.44 ' HG ' ' HB1' ' A' ' 34' ' ' ALA . 3.0 tm? -71.67 109.28 5.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.153 -0.684 . . . . 75.42 109.153 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.553 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 4.0 mmp_? -114.66 130.18 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.083 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' TYR . 11.1 mp -93.81 113.65 25.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.811 -0.44 . . . . 64.23 109.811 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.5 121.77 45.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.893 -0.594 . . . . 72.22 109.444 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.08 133.34 11.7 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.11 -0.567 . . . . 64.2 112.025 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 89.2 m-85 -125.76 164.25 21.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 75.13 110.746 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.92 171.69 7.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 74.34 109.86 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.38 131.6 51.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.998 0.428 . . . . 70.41 110.526 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 10.0 t70 -121.46 -88.1 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.593 -0.73 . . . . 73.13 109.23 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -79.67 86.96 5.23 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.454 -0.573 . . . . 74.21 109.454 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -70.93 173.81 6.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 62.11 111.256 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.6 96.33 0.26 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.668 -0.696 . . . . 72.45 110.832 -175.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -140.27 27.55 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.008 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.14 99.95 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.519 -0.764 . . . . 54.24 110.962 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 74' ' ' GLU . 6.6 t -178.11 -168.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.435 -0.95 . . . . 63.21 108.435 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.09 -40.79 67.56 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.224 -1.028 . . . . 53.23 108.224 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 72' ' ' THR . 14.4 tt0 69.34 156.41 0.14 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.565 -1.198 . . . . 71.34 110.864 171.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 p 52.12 15.93 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.187 0.595 . . . . 62.23 111.763 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.56 78.69 4.33 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.334 -0.617 . . . . 61.51 109.334 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.6 mt -62.21 108.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 71.11 110.467 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -57.68 -50.09 74.32 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.101 -0.499 . . . . 73.23 111.131 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 t -61.2 -26.64 67.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.014 0.435 . . . . 75.44 110.79 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 31.9 tp -72.32 -40.63 67.3 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.191 -0.458 . . . . 65.33 110.123 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.47 -39.46 87.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 70.23 109.549 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.0 -29.57 66.68 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.267 -0.879 . . . . 72.23 110.371 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -71.02 -40.64 71.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.627 -0.715 . . . . 75.24 110.616 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.01 -37.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 75.21 110.278 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.39 -17.79 60.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.916 -0.583 . . . . 71.34 111.269 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.27 -29.4 63.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 75.25 111.186 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -110.91 -49.41 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.433 0.635 . . . . 63.13 111.043 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 92' ' ' CYS . 55.8 m -94.5 114.18 26.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.007 -0.997 . . . . 63.33 111.896 -168.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -91.38 -44.19 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.671 -0.863 . . . . 53.33 108.671 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -152.15 -65.46 0.17 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.364 -0.834 . . . . 62.51 109.47 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.45 107.69 2.03 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 110.753 -0.939 . . . . 74.52 110.753 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 88' ' ' CYS . 51.1 t -143.89 168.42 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 64.43 111.107 -172.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -164.97 118.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.712 -0.676 . . . . 74.22 109.814 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -161.36 160.64 29.84 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.794 -0.447 . . . . 72.41 109.794 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 30.1 p90 -136.08 140.28 43.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 50.43 110.802 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 50' ' ' VAL . 43.5 t -117.82 117.63 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.39 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 13' ' ' ILE . 10.2 mp -108.53 136.76 47.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.771 -0.65 . . . . 72.32 110.022 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.45 143.29 36.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.457 -0.571 . . . . 65.42 109.457 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -75.52 116.85 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 61.13 110.947 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 102' ' ' LYS . 49.6 mm -76.28 111.57 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.886 -1.153 . . . . 73.11 107.886 168.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -69.88 78.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.093 0.949 . . . . 73.54 109.369 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HB3' HG22 ' A' ' 100' ' ' ILE . 31.7 tttm 175.92 136.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 113.519 -1.673 . . . . 50.11 108.536 -171.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? -179.62 107.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.196 -1.039 . . . . 65.11 108.196 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.93 108.2 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.51 0.672 . . . . 73.02 110.526 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -132.55 116.29 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.859 -1.064 . . . . 71.31 109.09 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -64.94 77.82 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.669 0.747 . . . . 71.23 110.927 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.99 134.56 34.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 63.34 109.705 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -51.65 116.96 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.46 0.475 . . . . 72.4 110.426 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -138.97 158.25 44.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.118 -0.492 . . . . 63.51 109.893 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.245 0.86 0 N-CA-C 109.441 -0.577 . . . . 74.35 109.441 177.046 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 109.958 -0.386 . . . . 73.21 109.958 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.54 139.29 47.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 120.72 0.295 . . . . 50.01 110.774 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.66 83.82 0.56 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.205 -0.521 . . . . 42.51 111.847 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.65 -41.8 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.128 0.49 . . . . 74.41 110.104 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -126.07 -2.73 7.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.595 -0.729 . . . . 74.42 109.266 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 9.2 mp0 -92.52 8.45 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.299 -0.864 . . . . 55.3 109.885 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -70.64 83.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 74.52 110.901 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.618 ' NH2' HG21 ' A' ' 100' ' ' ILE . 48.3 tpt85 -85.84 -39.87 16.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 73.42 109.889 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.12 -169.61 18.45 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.231 -1.148 . . . . 74.2 110.231 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.7 -50.53 64.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 117.674 0.737 . . . . 72.03 109.603 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 22' ' ' LEU . 49.9 mt -127.09 87.52 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.772 -0.649 . . . . 53.3 109.312 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.487 -0.779 . . . . 73.01 110.506 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 97' ' ' LEU . 20.5 mm -120.99 98.86 6.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.488 -0.56 . . . . 73.05 109.488 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.42 122.24 43.91 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.417 -0.586 . . . . 60.35 109.417 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.0 tt -150.73 136.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.574 -0.285 . . . . 72.12 110.978 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.9 mm-40 53.99 45.97 26.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.004 -0.543 . . . . 71.53 111.654 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 58.08 38.66 26.58 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.031 -0.531 . . . . 65.32 110.805 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.21 142.1 42.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 44.15 110.325 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 103' ' ' LEU . 40.5 tt0 -101.95 114.18 28.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.596 -0.729 . . . . 75.22 110.383 -176.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 78.7 m-85 -120.04 164.47 16.09 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.617 -0.512 . . . . 61.23 109.617 175.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 100' ' ' ILE . 11.0 pt-20 -147.05 149.29 32.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.929 -0.767 . . . . 72.1 108.929 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD23 HD12 ' A' ' 11' ' ' ILE . 57.7 tp -74.29 102.97 4.52 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.651 -0.5 . . . . 72.35 109.651 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -92.5 -22.92 5.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.068 -0.515 . . . . 75.01 111.417 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.5 t60 -156.77 135.32 11.51 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.308 -0.256 . . . . 64.33 110.308 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 28' ' ' ASP . 34.4 t30 -143.71 137.74 28.37 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -137.3 135.3 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.058 -0.349 . . . . 64.21 110.058 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.65 19.58 11.44 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.985 -0.552 . . . . 64.24 110.737 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 25' ' ' ASN . 30.3 m-20 57.26 32.14 21.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.955 -0.566 . . . . 75.12 110.774 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -16.66 64.12 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.995 -0.548 . . . . 61.11 112.502 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.31 130.61 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.73 0.3 . . . . 74.54 111.175 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.59 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.1 t-20 -154.47 125.44 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.106 -0.702 . . . . 75.21 109.106 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 26.6 tt0 -61.14 -50.66 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.504 -0.317 . . . . 72.02 111.571 -174.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.59 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.8 pt-20 -58.82 -32.94 69.83 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.732 0.301 . . . . 71.21 111.161 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' HD23 ' A' ' 58' ' ' LEU . . . -78.3 -42.07 31.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 71.4 110.359 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.94 -58.06 10.06 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.783 -0.644 . . . . 75.3 110.989 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.7 ptmt -63.7 -19.76 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 74.31 111.488 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.58 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 73.51 110.849 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.8 mmp_? -92.54 -1.45 56.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.362 -0.381 . . . . 65.05 111.725 -176.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.86 142.16 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.817 -0.438 . . . . 72.15 109.817 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.416 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.2 t -139.98 158.27 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 72.53 110.373 -177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.46 -47.64 84.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.621 -0.718 . . . . 74.22 112.082 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.05 -31.22 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.01 0.434 . . . . 75.24 111.337 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.591 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 88.6 mt -67.58 -30.14 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 64.54 111.13 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -55.02 -45.65 75.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 70.34 112.105 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -70.31 -12.84 61.86 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.444 0.535 . . . . 62.32 112.444 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.591 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 70.6 m-85 -71.63 -26.48 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.36 -0.212 . . . . 74.53 110.5 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 19.0 t70 76.59 -0.31 3.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.332 0.653 . . . . 74.23 110.901 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -142.97 127.12 17.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.485 . . . . 71.14 110.221 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 43' ' ' LEU . 24.0 mm -119.31 113.49 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.496 -0.557 . . . . 73.1 109.496 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.8 p -124.87 120.84 59.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.81 0.338 . . . . 45.31 110.31 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.02 125.73 8.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.189 -0.529 . . . . 73.31 112.147 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -104.65 133.84 48.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.924 0.393 . . . . 73.22 110.285 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.413 ' CZ2' HD22 ' A' ' 58' ' ' LEU . 77.0 m95 -97.02 -0.71 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.834 -0.621 . . . . 72.55 109.756 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.3 92.99 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 115.765 -0.652 . . . . 74.31 112.712 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.17 -14.91 63.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.913 0.387 . . . . 75.31 110.577 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.37 -51.35 0.7 Allowed Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 111.573 -0.611 . . . . 52.31 111.573 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -103.98 131.47 51.2 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.316 -0.624 . . . . 72.41 109.316 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 ' HB1' ' A' ' 34' ' ' ALA . 59.9 tp -56.39 117.05 3.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.188 0.518 . . . . 74.12 111.943 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.539 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 29.0 ttm105 -113.04 129.16 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.512 -0.767 . . . . 73.12 109.619 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 38' ' ' ARG . 10.1 mp -94.37 107.5 19.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.432 -0.581 . . . . 60.3 109.432 173.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -99.12 163.03 12.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 75.4 109.409 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.26 144.62 15.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.979 -0.629 . . . . 75.12 112.357 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -137.78 168.3 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.866 -0.42 . . . . 75.31 109.866 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.98 164.83 11.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.611 -0.514 . . . . 65.25 109.611 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 109.56 1.05 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.517 0.675 . . . . 61.3 110.492 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 77' ' ' ILE . 25.9 t0 -103.24 167.93 9.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.135 -0.939 . . . . 73.14 109.672 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 63.62 30.07 15.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.823 0.344 . . . . 75.32 111.185 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -61.0 92.34 0.03 OUTLIER 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.363 0.601 . . . . 75.1 110.415 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -150.81 168.92 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.096 -0.957 . . . . 71.0 108.927 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.26 -16.99 61.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.816 0.341 . . . . 72.13 110.987 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.44 111.43 0.53 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.107 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -81.87 106.72 14.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.161 0.505 . . . . 73.14 111.358 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -136.95 148.25 46.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 72.33 109.48 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -80.82 -38.98 27.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.553 -0.294 . . . . 63.55 110.705 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -155.59 103.09 2.27 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.507 . . . . 64.42 110.666 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -145.97 133.8 21.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.687 0.28 . . . . 62.21 110.273 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 80' ' ' LEU . 61.6 mt -144.38 114.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.004 -0.739 . . . . 74.31 109.004 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -72.44 -45.51 59.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 73.02 111.076 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -61.69 -18.91 61.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.986 0.422 . . . . 75.24 110.853 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' H ' HG22 ' A' ' 77' ' ' ILE . 50.6 tp -64.04 -47.64 79.42 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 109.703 -0.48 . . . . 74.35 109.703 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.53 -41.06 96.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.641 -0.709 . . . . 60.42 110.081 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.06 -38.23 78.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.653 -0.703 . . . . 73.12 110.706 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -71.89 -48.72 43.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.72 -0.673 . . . . 74.43 110.621 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 88' ' ' CYS . 46.9 mm -57.85 -41.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 72.02 110.28 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -56.42 -26.02 52.1 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.621 . . . . 71.53 111.641 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.92 -56.61 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.361 -0.381 . . . . 73.13 111.51 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -88.1 -42.34 12.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 75.55 111.413 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 44.3 t -113.21 85.44 2.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 71.44 110.431 -174.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.32 150.82 46.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.979 -0.555 . . . . 74.22 110.784 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.0 t80 67.01 -73.59 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.776 0.672 . . . . 74.5 110.776 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.46 75.89 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.521 -0.632 . . . . 64.1 111.521 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.5 p -89.02 -157.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.264 -0.273 . . . . 74.12 110.264 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.59 127.44 32.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.873 0.368 . . . . 72.31 111.599 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -165.21 155.04 13.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.754 -0.657 . . . . 65.24 109.607 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.43 152.1 42.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.5 -0.318 . . . . 63.54 110.554 -177.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 46.5 t -129.48 121.85 54.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 123.504 0.503 . . . . 73.24 110.91 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 11.3 mp -111.91 147.77 35.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.029 -0.73 . . . . 54.11 109.029 171.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -113.07 133.68 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.181 -0.303 . . . . 64.01 110.181 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 6.5 tmm_? -74.92 93.17 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.867 -1.16 . . . . 72.42 107.867 174.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.618 HG21 ' NH2' ' A' ' 8' ' ' ARG . 40.8 mm -61.14 -71.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 65.44 111.791 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -167.0 -170.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.0 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -85.32 75.88 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.42 0.526 . . . . 73.1 112.42 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.5 mm? 50.97 103.94 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.299 0.999 . . . . 44.24 113.156 165.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -91.68 124.56 35.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 74.12 111.752 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -79.59 63.44 4.18 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.794 -0.639 . . . . 71.34 109.782 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -79.2 72.66 5.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 72.41 110.834 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -86.93 -13.39 44.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 70.41 110.399 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -74.6 86.67 2.12 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.696 -0.483 . . . . 64.03 109.696 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 110' ' ' HIS . 38.2 t-80 -87.16 -23.03 24.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 74.25 110.617 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 109' ' ' HIS . 4.1 p-80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 124.761 1.224 . . . . 73.52 110.893 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.646 0.26 . . . . 73.41 110.387 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.23 86.66 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.685 -0.487 . . . . 73.31 109.685 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.62 107.95 3.26 Favored Glycine 0 C--O 1.238 0.356 0 CA-C-N 115.635 -0.712 . . . . 54.51 111.363 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.29 90.37 0.1 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.833 0.349 . . . . 62.14 110.901 -177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 p -80.64 61.74 4.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.496 0.665 . . . . 74.12 110.581 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.54 80.85 6.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.381 -0.827 . . . . 54.2 110.089 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -98.07 -66.89 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.626 -0.715 . . . . 74.24 109.863 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -163.9 144.97 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.515 -0.766 . . . . 72.33 109.392 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.63 148.93 12.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 55.52 111.78 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.27 -63.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.502 -0.555 . . . . 64.31 109.502 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 22' ' ' LEU . 75.8 mt -143.85 93.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.591 -0.731 . . . . 71.3 109.211 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.07 122.11 41.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.044 -0.525 . . . . 75.43 110.694 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 HD21 ' A' ' 97' ' ' LEU . 32.1 mm -107.32 101.24 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 44.42 110.236 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.5 mp -92.88 111.13 22.63 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.682 -0.488 . . . . 73.12 109.682 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.589 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.2 tt -141.94 134.07 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.306 -0.406 . . . . 51.41 110.871 -176.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.589 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.0 mm-40 52.81 39.95 29.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.867 0.467 . . . . 73.24 111.27 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 58.38 43.97 19.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.39 0.614 . . . . 61.54 110.778 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.3 118.53 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 63.34 109.681 174.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.98 116.3 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 72.32 110.117 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -115.09 167.15 11.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.436 -0.347 . . . . 73.31 110.315 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.4 pt-20 -134.3 144.1 48.13 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.51 -0.552 . . . . 64.23 109.51 171.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 25' ' ' ASN . 48.2 tp -82.14 100.93 10.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.682 -0.488 . . . . 63.3 109.682 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.78 -29.17 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 74.31 111.163 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -146.57 133.59 20.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 63.44 110.644 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' A' ' 22' ' ' LEU . 41.0 t30 -140.12 108.43 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.45 -0.574 . . . . 75.21 109.45 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 33.6 t80 -93.29 126.32 38.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 60.3 110.726 -176.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 9.9 mmpt? 60.71 23.41 13.28 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.713 0.633 . . . . 72.21 111.503 175.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.47 38.48 28.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.146 0.498 . . . . 74.3 110.99 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -77.34 -1.81 76.92 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.803 -0.635 . . . . 62.32 112.88 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.3 97.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 51.45 111.177 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -112.03 102.26 10.49 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.47 -0.567 . . . . 75.11 109.47 172.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.533 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 17.6 tt0 -55.18 -42.62 73.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.747 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.03 -40.39 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 71.51 111.282 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.91 57.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 75.11 110.162 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HD11 ' A' ' 60' ' ' LEU . 66.6 t80 -57.82 -58.56 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 63.23 111.152 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.5 ptmt -68.32 -19.46 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 72.14 111.403 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -42.99 19.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.214 -0.448 . . . . 54.11 110.798 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.8 mmp_? -89.18 -6.39 56.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.292 -177.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -57.07 139.18 53.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 73.51 110.474 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 m -132.39 152.4 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.485 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.19 -41.26 79.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.226 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.508 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 8.0 tp -58.49 -28.44 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.007 -0.542 . . . . 74.15 111.445 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' A' ' 49' ' ' ILE . 95.5 mt -73.73 -24.75 59.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 44.41 111.807 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.62 -27.07 66.0 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.42 0.526 . . . . 74.54 112.42 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -79.66 -20.37 46.82 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.948 0.722 . . . . 61.32 112.948 -172.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.9 m-85 -72.2 -25.68 61.76 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.988 0.736 . . . . 70.14 112.988 -170.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.7 m-20 69.11 0.29 2.76 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.831 0.452 . . . . 74.33 111.64 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.863 0.465 . . . . 72.33 109.804 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HB3' ' A' ' 43' ' ' LEU . 43.8 mm -118.6 115.12 47.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.33 109.897 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 96' ' ' VAL . 68.1 t -112.83 125.03 70.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.288 -0.415 . . . . 74.12 110.007 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -101.64 120.25 6.79 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.928 -0.869 . . . . 34.34 110.928 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -111.4 152.07 27.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.118 -0.327 . . . . 65.21 110.118 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -104.61 39.1 1.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.138 -0.483 . . . . 75.12 109.867 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.92 128.74 48.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.576 -0.738 . . . . 74.04 111.961 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.0 t80 67.75 1.73 2.76 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.019 0.527 . . . . 54.25 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.57 -7.09 45.79 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 121.209 -0.519 . . . . 62.42 112.836 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.73 134.09 48.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.28 -0.267 . . . . 71.52 110.28 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.6 120.24 23.66 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.984 -0.376 . . . . 64.54 109.984 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.516 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 19.8 ttm180 -126.45 142.5 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 61.23 110.549 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.8 mp -100.16 112.09 24.4 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.487 -0.56 . . . . 72.12 109.487 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 9.8 tmtt? -106.96 129.76 54.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 63.33 108.784 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -86.32 127.85 8.56 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.874 -0.679 . . . . 50.05 111.994 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 94.7 m-85 -118.48 161.81 19.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.32 . . . . 72.42 110.44 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.88 170.03 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.078 -0.51 . . . . 74.32 109.823 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.33 132.31 40.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 74.3 110.779 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.57 172.69 7.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.009 -0.541 . . . . 72.42 110.722 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 63.92 -4.44 0.37 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.237 -0.892 . . . . 65.43 113.379 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -73.77 76.23 1.58 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.718 0.771 . . . . 74.03 109.39 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -166.02 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.242 -1.345 . . . . 73.52 108.266 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -135.9 136.65 40.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.853 -1.067 . . . . 71.23 108.291 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 87.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.995 0.426 . . . . 70.44 111.004 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 m -111.14 -79.36 0.58 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.002 -0.545 . . . . 73.11 110.366 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -165.04 104.23 0.77 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.162 -0.681 . . . . 73.41 109.162 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -27.14 63.44 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.093 -0.503 . . . . 63.41 112.113 -173.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 p -90.73 3.33 54.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 62.44 111.938 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -105.55 110.77 23.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.114 0.483 . . . . 70.42 110.544 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.6 mt -93.79 135.47 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.872 -0.604 . . . . 74.14 110.024 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.7 m -77.75 -52.17 9.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 73.04 110.515 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -57.66 -24.27 55.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.994 0.426 . . . . 75.25 110.775 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 36.5 tp -61.71 -60.25 3.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 71.52 110.975 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.48 -33.83 73.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.013 0.435 . . . . 70.51 110.645 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -66.29 -40.86 90.31 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.858 -0.61 . . . . 75.5 110.376 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -66.61 -44.96 80.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.66 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.3 mm -59.39 -40.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.635 . . . . 75.15 110.9 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.88 -28.22 67.36 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.046 -0.525 . . . . 75.41 111.294 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.74 -36.17 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 64.05 111.766 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -118.72 -38.67 3.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.596 0.591 . . . . 72.04 112.596 -170.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.631 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.9 t -116.23 34.07 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.859 0.318 . . . . 74.54 111.859 -168.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -67.0 -28.86 68.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.812 0.339 . . . . 64.11 110.671 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.55 -1.48 34.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.474 -0.33 . . . . 65.1 111.331 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.79 108.24 0.17 Allowed Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.089 -0.577 . . . . 44.31 112.418 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.631 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 26.7 p -129.6 -78.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.767 -0.255 . . . . 53.52 110.702 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . 176.01 141.2 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.648 0.379 . . . . 71.11 110.503 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -169.85 158.65 7.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.721 -0.474 . . . . 73.35 109.721 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -138.85 146.86 41.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.529 0.204 . . . . 75.23 111.034 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 50' ' ' VAL . 47.3 t -120.44 121.04 64.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.355 -0.384 . . . . 63.43 110.828 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 HG13 ' A' ' 13' ' ' ILE . 10.4 mp -109.38 130.54 55.49 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.805 0.442 . . . . 75.5 110.756 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -107.88 128.79 54.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 73.34 109.92 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 47' ' ' ASP . 46.4 ttp180 -77.45 128.84 34.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.977 -0.379 . . . . 71.15 109.977 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 102' ' ' LYS . 20.0 mm -83.31 158.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 71.54 110.387 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -79.6 -1.14 36.66 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.234 -0.439 . . . . 71.33 111.519 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HG2' ' CG2' ' A' ' 100' ' ' ILE . 13.8 ptmm? -108.23 161.14 15.27 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.877 -0.416 . . . . 71.54 109.877 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 2.3 tm? -136.58 96.05 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.473 -0.936 . . . . 73.22 108.473 176.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.52 117.39 10.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 72.5 109.571 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -62.11 156.78 20.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 75.45 111.805 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -51.96 125.83 16.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.647 -0.706 . . . . 74.25 111.479 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.0 71.55 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.739 -0.664 . . . . 74.2 109.985 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -67.65 122.96 19.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 55.4 110.782 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -153.21 123.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.706 -0.679 . . . . 71.31 109.88 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.599 -0.715 . . . . 72.42 109.257 174.428 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.087 -0.338 . . . . 75.14 110.087 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' HB ' ' NZ ' ' A' ' 102' ' ' LYS . 42.5 mm -128.13 98.61 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.798 -0.445 . . . . 62.11 109.798 176.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.53 -66.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.329 -0.708 . . . . 44.14 111.329 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -85.78 -12.45 50.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.777 0.322 . . . . 74.12 110.778 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -96.17 -176.25 3.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.084 -0.507 . . . . 61.21 110.116 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -155.5 139.49 16.37 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.007 -0.368 . . . . 73.12 110.007 -175.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -83.07 -20.3 35.19 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.744 0.307 . . . . 71.11 110.305 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 64.96 28.69 12.55 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.706 -0.679 . . . . 74.12 111.296 170.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.12 114.11 4.6 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.053 -0.594 . . . . 55.03 111.824 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.75 -50.28 74.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.804 0.335 . . . . 62.43 110.444 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 22' ' ' LEU . 60.1 mt -127.59 101.15 6.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 72.12 110.121 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.15 140.19 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.432 -0.804 . . . . 73.21 110.306 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.57 HG13 HD21 ' A' ' 97' ' ' LEU . 31.2 mm -122.18 110.67 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.366 -0.605 . . . . 64.44 109.366 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.47 115.61 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.311 . . . . 74.41 110.321 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.629 HG12 ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -150.53 135.65 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.346 -0.388 . . . . 70.24 110.936 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.629 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.1 mm-40 56.88 35.63 26.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.094 0.473 . . . . 73.34 110.835 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 59.66 17.01 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.589 -0.732 . . . . 64.53 111.559 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.05 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.902 -0.777 . . . . 63.02 108.902 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 103' ' ' LEU . 38.9 tt0 -104.78 132.98 50.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.051 -0.352 . . . . 72.13 110.051 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 97.6 m-85 -133.72 164.58 26.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.182 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HG2' HD11 ' A' ' 100' ' ' ILE . 6.8 pt-20 -133.46 148.2 51.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.152 -0.684 . . . . 72.02 109.152 169.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 11' ' ' ILE . 47.3 tp -77.28 100.34 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 62.32 109.737 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.71 -21.59 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.52 -0.309 . . . . 75.3 111.244 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 21.8 t-80 -150.94 133.53 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.952 -0.388 . . . . 74.22 109.952 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.2 t30 -141.76 126.52 18.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.225 -0.657 . . . . 74.44 109.225 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 41.9 t80 -118.62 128.15 54.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 73.43 110.299 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 8.7 mmpt? 60.58 21.48 11.3 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.746 0.654 . . . . 61.14 110.36 178.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.4 m-20 54.06 32.55 15.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.4 -0.818 . . . . 74.33 111.175 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.09 -7.71 63.33 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 116.005 -0.543 . . . . 54.2 112.924 -177.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -69.54 92.39 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.268 0.556 . . . . 73.4 111.096 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -94.92 106.89 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.928 -0.767 . . . . 65.11 108.928 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.8 -46.85 74.56 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.431 -0.35 . . . . 70.52 111.523 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.01 -42.13 97.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.804 -0.18 . . . . 70.05 110.687 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.49 94.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.936 0.398 . . . . 63.03 110.268 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -56.7 -58.8 6.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.695 -0.684 . . . . 75.33 110.643 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 15' ' ' ILE . 13.4 ptmm? -68.91 -20.91 64.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.728 -0.669 . . . . 72.22 111.625 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.33 -16.55 45.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.44 -0.345 . . . . 71.43 111.218 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -111.68 -14.75 13.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.75 0.309 . . . . 73.54 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.56 158.71 26.35 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.043 -0.526 . . . . 61.25 110.901 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.6 t -154.66 167.51 29.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.2 -0.455 . . . . 70.44 109.85 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.2 -52.05 66.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.071 0.548 . . . . 53.35 112.476 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.72 -29.5 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 112.344 0.498 . . . . 61.43 112.344 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.46 -25.42 68.0 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.687 0.28 . . . . 75.11 111.406 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.18 -25.83 68.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.429 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -70.32 -16.78 63.04 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.299 -0.41 . . . . 74.14 111.759 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 71.7 m-85 -84.25 -31.14 25.15 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.61 0.226 . . . . 73.33 111.61 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 99' ' ' ARG . 2.4 m-20 66.18 0.96 1.81 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.993 0.517 . . . . 74.43 111.974 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.89 118.46 10.97 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.156 0.582 . . . . 62.11 109.672 177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.6 mm -118.81 118.18 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 55.02 110.083 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 96' ' ' VAL . 57.3 t -114.75 114.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 75.41 109.659 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.39 120.23 6.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.67 -0.776 . . . . 60.34 111.638 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.75 131.8 52.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.291 -0.263 . . . . 72.01 110.291 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.06 -37.89 37.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.602 -0.888 . . . . 73.12 108.602 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.04 -87.01 0.01 OUTLIER Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.341 -0.845 . . . . 43.43 112.859 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -104.07 -26.76 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.821 0.344 . . . . 74.45 110.337 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.49 -28.0 0.49 Allowed Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.839 -0.619 . . . . 51.24 111.592 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.83 101.82 11.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 74.12 110.483 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.87 117.14 8.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.844 -0.617 . . . . 73.11 110.093 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -129.7 145.06 51.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.545 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.11 118.97 37.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.227 -0.442 . . . . 45.44 110.633 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -106.41 135.45 47.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.55 -0.75 . . . . 70.53 109.42 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.64 146.12 17.97 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.792 -0.718 . . . . 62.44 112.191 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.501 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 71.8 m-85 -141.57 163.69 32.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.521 -0.548 . . . . 63.31 109.521 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.62 163.89 12.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.986 -0.376 . . . . 70.04 109.986 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.84 119.72 12.99 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.291 -0.633 . . . . 73.35 109.291 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.518 ' HB2' HG23 ' A' ' 77' ' ' ILE . 35.2 t70 -93.24 -3.77 53.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.742 -0.663 . . . . 72.34 110.901 -174.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -119.62 -63.27 1.4 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.215 -0.448 . . . . 63.22 111.035 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 61.5 28.16 17.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.638 0.375 . . . . 71.55 110.964 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -104.55 170.1 8.09 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.036 0.446 . . . . 73.13 111.115 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 16.93 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 62.14 109.817 172.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.29 -178.66 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.427 -0.806 . . . . 74.32 111.108 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.6 t -66.31 -19.41 65.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.953 0.406 . . . . 75.11 110.283 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -118.99 117.16 28.04 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.434 -0.58 . . . . 73.13 109.434 172.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -134.48 14.35 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.355 0.598 . . . . 55.3 109.842 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.7 p -137.13 14.59 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.35 -0.841 . . . . 72.4 110.235 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.5 102.68 10.77 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.13 -0.486 . . . . 73.11 111.096 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 66' ' ' ASP . 69.7 mt -82.51 133.87 28.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.145 -0.48 . . . . 72.41 109.932 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -55.92 5.31 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.565 -0.289 . . . . 72.41 111.148 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -60.2 -21.43 61.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.851 0.358 . . . . 73.41 111.219 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' H ' HG22 ' A' ' 77' ' ' ILE . 60.5 tp -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.126 -0.488 . . . . 72.45 110.702 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.92 -47.41 85.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.388 0.613 . . . . 71.33 110.267 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -71.1 -31.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.078 -0.965 . . . . 71.34 110.838 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.11 -52.87 52.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 72.45 110.615 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.83 -38.32 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.368 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.605 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 50.8 t80 -50.49 -46.29 56.88 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.779 -0.646 . . . . 74.03 111.244 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.72 -28.79 69.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.38 -0.373 . . . . 63.32 111.727 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -118.0 -94.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.251 0.463 . . . . 71.43 112.251 -172.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.0 t -95.29 49.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 72.12 111.187 -168.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 85' ' ' TYR . 10.0 p30 -69.24 -35.19 75.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.597 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -170.1 144.56 2.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.298 -0.41 . . . . 71.21 109.984 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 -5.42 44.68 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.44 -0.409 . . . . 75.05 112.337 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 p -148.79 -163.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.13 -0.693 . . . . 70.54 109.13 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . -133.08 154.55 50.46 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.78 0.324 . . . . 74.25 111.327 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -155.03 164.2 39.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.751 -0.659 . . . . 73.42 109.436 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.86 155.05 43.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.612 0.244 . . . . 74.54 111.071 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 36.1 t -132.07 125.56 54.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 116.02 -0.536 . . . . 54.32 109.961 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -119.1 144.46 46.6 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.068 -0.515 . . . . 74.32 109.899 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -115.7 142.82 46.24 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.974 -0.38 . . . . 73.43 109.974 174.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.568 ' HB2' ' HA ' ' A' ' 47' ' ' ASP . 1.4 tmt_? -79.31 108.2 12.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 70.33 110.292 -176.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 21' ' ' GLU . 39.8 mm -75.75 135.38 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.731 -0.47 . . . . 75.34 109.731 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.66 77.37 8.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.452 0.538 . . . . 60.15 112.452 -169.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' NZ ' ' HB ' ' A' ' 2' ' ' ILE . 78.0 tttt -174.81 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.835 -0.62 . . . . 70.03 111.243 168.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 19' ' ' GLU . 3.3 tm? 81.61 105.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.148 0.905 . . . . 71.52 109.552 -171.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' HD3' ' A' ' 102' ' ' LYS . 75.9 mm-40 -68.98 81.72 0.31 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.141 -0.481 . . . . 62.45 110.704 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.68 70.96 6.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.243 0.545 . . . . 55.55 109.823 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -84.8 175.28 9.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.764 -0.653 . . . . 71.23 110.424 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.25 34.57 0.31 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.309 -0.405 . . . . 71.04 111.599 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 32.9 m170 60.38 92.32 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.453 0.538 . . . . 70.42 112.453 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -106.44 138.09 43.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.148 -0.686 . . . . 73.43 109.148 170.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.439 -0.791 . . . . 72.31 110.203 -177.256 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.44 0.162 . . . . 70.25 111.436 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 pt -76.92 140.78 16.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.98 0.419 . . . . 75.33 111.133 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.55 87.14 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.946 -0.57 . . . . 63.55 112.531 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.4 mtt -75.01 173.14 11.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.828 0.347 . . . . 73.35 110.658 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -149.69 139.92 22.21 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.131 -0.486 . . . . 75.43 109.923 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -148.93 132.45 16.72 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.646 -0.252 . . . . 70.24 110.369 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -124.1 157.57 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.794 -0.447 . . . . 65.4 109.794 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -146.95 -64.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 74.44 110.324 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.57 -81.65 0.08 OUTLIER Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.951 -0.568 . . . . 72.31 111.758 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' HG2' HG13 ' A' ' 11' ' ' ILE . 37.0 tt0 -167.49 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.132 -0.692 . . . . 60.02 109.132 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 22' ' ' LEU . 62.4 mt -125.34 112.39 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 73.44 109.29 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.36 131.13 54.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 64.54 110.266 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 97' ' ' LEU . 25.2 mm -117.57 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 52.03 110.247 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.78 115.1 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 62.33 110.108 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 16' ' ' GLN . 9.3 tt -150.47 139.67 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.41 -0.359 . . . . 61.14 110.781 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.8 mm100 55.27 40.01 31.47 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.402 0.439 . . . . 74.22 111.609 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 64.11 15.62 9.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.904 -0.589 . . . . 74.31 110.88 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.16 126.8 55.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 61.14 109.71 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.657 ' H ' ' NH1' ' A' ' 99' ' ' ARG . 43.1 tt0 -104.12 128.13 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.065 -0.516 . . . . 74.43 110.038 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' LYS . 96.7 m-85 -131.85 161.9 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 74.52 110.714 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -129.86 135.32 48.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.28 -0.637 . . . . 75.21 109.28 170.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 11' ' ' ILE . 64.1 tp -73.86 100.49 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.703 -0.48 . . . . 63.12 109.703 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.91 -26.42 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.044 -0.525 . . . . 64.01 111.97 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -146.84 135.11 21.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 75.22 110.999 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -130.73 141.54 50.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.985 -0.746 . . . . 61.42 108.985 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -132.85 115.61 15.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.865 -0.42 . . . . 73.11 109.865 -176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 59.87 28.28 17.75 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.486 0.491 . . . . 74.12 111.083 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.0 t70 58.34 31.91 21.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.751 -0.659 . . . . 64.21 110.76 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.1 -4.76 30.25 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.795 -0.639 . . . . 74.25 113.061 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -72.84 113.1 9.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 75.44 110.944 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -135.91 102.17 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.605 -0.887 . . . . 53.42 108.605 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.05 -41.88 88.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.956 -0.565 . . . . 71.33 112.064 -168.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -55.15 -41.77 72.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.962 0.411 . . . . 71.02 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.58 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.548 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.35 -59.54 4.56 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.949 -0.569 . . . . 75.11 110.643 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -61.1 -30.31 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 74.1 111.249 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.7 76.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.255 -0.429 . . . . 74.42 110.995 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.653 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -103.05 5.79 38.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.348 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 60' ' ' LEU . 72.9 t80 -78.99 151.75 31.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.265 0.555 . . . . 72.41 111.17 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -142.13 147.23 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.424 -0.807 . . . . 55.24 109.398 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.99 -27.58 68.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.07 0.462 . . . . 75.05 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.67 -25.44 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.984 -0.553 . . . . 65.52 111.071 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' A' ' 49' ' ' ILE . 90.7 mt -71.24 -22.88 61.93 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.744 -174.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.24 -21.95 50.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.025 0.44 . . . . 72.11 111.015 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -63.71 -31.91 73.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.481 -0.781 . . . . 75.12 112.365 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.9 m-85 -86.42 -23.49 26.05 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.82 0.674 . . . . 62.22 112.82 -167.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 70.73 -0.69 2.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.269 0.627 . . . . 64.11 112.05 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -148.31 119.56 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.749 0.309 . . . . 73.54 110.385 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 43' ' ' LEU . 23.9 mm -115.95 116.21 51.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.028 -0.533 . . . . 70.01 110.037 -178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 96' ' ' VAL . 60.3 t -113.92 113.66 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.539 -0.301 . . . . 51.13 110.209 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.552 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.91 121.66 7.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.88 -0.676 . . . . 51.43 111.798 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.25 155.71 21.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.011 0.434 . . . . 75.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.51 38.75 2.37 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.597 -0.728 . . . . 71.22 110.276 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.63 -62.73 5.91 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.978 -0.556 . . . . 72.15 112.806 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -80.63 -39.24 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 75.02 110.268 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.94 -49.61 0.72 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.328 -1.109 . . . . 64.12 110.328 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.99 116.63 5.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.939 -0.763 . . . . 71.32 108.939 170.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.2 109.58 0.69 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 53.21 109.311 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 92.8 mtt180 -101.09 130.15 47.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.26 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 39' ' ' TYR . 88.7 mt -97.56 109.72 22.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 72.21 110.14 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.2 tmtt? -97.43 127.94 43.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.734 -0.839 . . . . 65.31 108.734 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.563 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -91.14 123.37 7.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.207 -0.52 . . . . 52.23 112.141 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 88.2 m-85 -116.13 156.13 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.638 0.256 . . . . 72.34 110.452 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -102.82 159.29 15.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.122 -0.695 . . . . 75.45 109.122 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 1.1 p-10 -68.92 130.99 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.766 0.317 . . . . 74.43 110.809 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -104.36 -62.26 1.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.772 -0.455 . . . . 72.34 109.772 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -122.77 102.15 7.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.214 0.531 . . . . 75.11 111.622 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 65' ' ' ASP . 18.1 m120 -118.4 24.94 10.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 107.706 -1.22 . . . . 72.34 107.706 166.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -72.66 146.92 46.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 114.195 -1.366 . . . . 44.43 111.635 -174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.41 151.07 13.77 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.25 -0.886 . . . . 65.21 110.602 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.45 17.09 8.1 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.181 -0.463 . . . . 65.55 111.526 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -140.42 161.98 36.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.474 -0.565 . . . . 71.45 109.474 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 51.1 m-85 -56.0 115.94 2.7 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 110.168 -0.308 . . . . 73.35 110.168 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -80.19 10.8 4.02 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.239 0.542 . . . . 74.54 110.81 179.55 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p -135.78 26.34 3.35 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.754 -0.657 . . . . 71.24 110.517 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 57.9 tptt -102.13 109.63 21.38 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.891 -0.595 . . . . 72.22 111.132 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.07 116.94 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.575 -0.898 . . . . 63.43 108.575 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 t -65.75 -52.83 47.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 72.32 110.967 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -63.92 -24.31 67.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 71.02 110.845 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.8 tp -63.73 -47.47 80.93 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.292 -0.413 . . . . 63.41 110.777 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.7 -41.69 70.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.296 0.57 . . . . 72.04 109.964 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.11 -49.03 66.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.3 -0.864 . . . . 70.42 109.914 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -51.74 -42.18 62.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.96 -1.018 . . . . 73.33 111.389 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -63.06 -45.95 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 71.34 110.888 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.26 -25.44 68.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.892 0.377 . . . . 74.33 110.931 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.33 -62.2 1.52 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 75.54 110.465 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -80.83 -53.73 6.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.631 -0.713 . . . . 72.33 111.693 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.86 78.05 1.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 54.14 111.01 -173.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.02 -42.91 7.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.642 -0.708 . . . . 60.42 110.162 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -89.48 -173.81 4.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.47 -0.786 . . . . 72.03 109.512 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.12 82.38 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.443 -0.408 . . . . 70.42 113.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.1 -172.88 2.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.904 0.482 . . . . 72.45 109.943 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.92 44.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.683 0.278 . . . . 75.32 111.744 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -165.38 177.67 7.36 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.599 -0.728 . . . . 64.42 109.699 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -155.1 155.86 34.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.45 -0.341 . . . . 71.15 110.359 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 50' ' ' VAL . 40.3 t -128.08 125.86 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 123.256 0.348 . . . . 70.12 111.074 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -109.48 145.87 35.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.334 -0.394 . . . . 72.22 110.668 176.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 84.0 tttt -116.59 129.14 56.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.794 -0.639 . . . . 52.12 110.415 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.657 ' NH1' ' H ' ' A' ' 19' ' ' GLU . 12.7 tpt85 -76.68 111.46 12.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.071 0.463 . . . . 53.51 111.66 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.411 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 26.1 mm -90.37 112.88 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.653 -0.869 . . . . 64.03 108.653 172.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -78.62 61.34 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 73.12 112.018 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -131.24 -69.57 0.62 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.943 -0.572 . . . . 73.04 109.765 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? 63.97 100.48 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.599 0.562 . . . . 71.0 110.434 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.54 137.87 50.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.189 0.519 . . . . 72.23 109.751 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -96.25 30.89 2.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.635 . . . . 74.22 111.051 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -55.68 87.74 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.684 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.11 14.95 2.96 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.762 -0.654 . . . . 71.51 111.83 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -84.58 80.71 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.85 -0.426 . . . . 62.02 109.85 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -154.05 163.74 39.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 73.44 110.353 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.649 -0.705 . . . . 71.45 109.114 178.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 2' ' ' ILE . 23.8 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.298 0.094 . . . . 74.04 111.114 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 1' ' ' MET . 39.7 pt -93.1 -10.6 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.954 0.407 . . . . 72.12 110.977 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.79 -171.09 21.41 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.353 -0.699 . . . . 45.43 111.353 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.5 mtp -124.04 17.06 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.985 -0.376 . . . . 63.05 109.985 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t 65.97 18.24 11.01 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.533 -0.758 . . . . 74.51 111.345 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.23 90.91 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.106 0.479 . . . . 42.1 110.68 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 104' ' ' GLU . 40.5 tptt -108.32 62.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.472 -0.936 . . . . 62.42 108.472 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -83.93 103.65 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.207 -0.906 . . . . 72.21 110.685 -171.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.29 -129.48 1.13 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.639 -0.985 . . . . 74.25 110.639 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -162.75 -63.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.049 0.425 . . . . 61.35 110.175 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -118.67 93.55 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 72.02 110.554 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -106.64 124.75 50.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 74.43 110.165 178.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm -105.03 100.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.478 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 104' ' ' GLU . 6.9 mp -90.66 110.85 22.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.83 -0.433 . . . . 62.54 109.83 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -133.11 114.02 20.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.962 0.411 . . . . 72.31 111.318 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 53.73 57.03 6.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.586 -0.734 . . . . 72.44 111.294 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 66.71 2.45 2.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.541 -0.754 . . . . 61.03 112.325 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.51 108.44 19.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 73.41 109.9 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.8 119.4 31.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.92 0.39 . . . . 72.52 110.379 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.78 172.06 7.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.08 -0.711 . . . . 73.14 109.08 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -140.62 150.62 43.81 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.818 -0.438 . . . . 73.14 109.818 168.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 52.8 tp -77.49 100.2 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.927 -0.579 . . . . 64.23 109.621 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' THR . 32.7 m -90.49 -17.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 73.12 111.038 -177.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 32.2 t60 -156.7 133.44 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 63.13 110.471 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.47 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.3 t30 -140.69 135.51 31.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.34 -0.615 . . . . 74.05 109.34 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -124.15 116.3 22.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.445 -0.205 . . . . 72.12 110.445 -173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 57.97 25.92 12.8 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.153 0.502 . . . . 62.21 110.286 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 25' ' ' ASN . 3.4 m-20 51.57 44.81 28.87 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.083 -0.962 . . . . 74.53 111.108 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.91 -12.41 62.36 Favored Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.667 -0.697 . . . . 72.23 111.817 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 79.7 t80 -62.38 99.75 0.15 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.89 0.376 . . . . 75.14 111.166 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -110.24 101.6 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.58 -0.896 . . . . 73.12 108.58 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.31 -45.25 94.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.661 -0.245 . . . . 70.13 110.706 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.09 -36.53 68.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.198 -0.456 . . . . 73.45 111.044 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -77.0 -42.1 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.341 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.22 -57.14 13.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.938 -0.574 . . . . 62.51 110.961 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -65.34 -17.73 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.686 . . . . 71.54 110.984 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.05 -26.3 31.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 19.8 mmt180 -101.24 -8.1 22.47 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.694 0.257 . . . . 71.44 111.694 -176.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.04 140.97 57.72 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.663 -0.244 . . . . 75.15 110.85 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.406 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 t -141.46 163.67 32.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.017 -0.538 . . . . 54.14 109.854 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.89 -49.24 76.15 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.311 -0.404 . . . . 52.11 111.3 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 5.7 tp -51.43 -34.22 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.031 -0.532 . . . . 72.11 112.089 -176.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 49' ' ' ILE . 81.0 mt -64.98 -27.58 68.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 75.11 111.752 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.18 -32.12 73.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.507 0.558 . . . . 65.2 112.507 -172.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.0 ptpp? -78.91 -12.12 60.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.995 0.368 . . . . 71.15 111.995 -175.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.478 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 81.7 m-85 -80.85 -40.82 24.2 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.902 0.382 . . . . 72.51 110.454 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 70.3 m-20 71.36 2.96 4.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.242 -0.89 . . . . 71.13 111.751 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 65' ' ' ASP . 46.9 m-85 -132.44 114.8 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.204 -0.665 . . . . 72.5 109.204 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.4 mm -116.2 114.0 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.694 -0.484 . . . . 63.35 109.694 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 96' ' ' VAL . 62.0 t -111.95 108.42 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.289 -0.414 . . . . 74.33 109.9 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -93.99 120.23 6.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.559 -0.829 . . . . 63.33 111.427 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.4 146.52 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 72.12 110.373 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.402 ' CZ2' HD12 ' A' ' 58' ' ' LEU . 69.7 m95 -97.44 35.74 1.59 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 61.41 109.959 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -63.1 133.29 42.98 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.729 -0.669 . . . . 60.55 111.991 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 74.3 t80 74.54 -59.72 0.54 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.953 0.501 . . . . 73.23 110.458 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.86 -33.18 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.215 -0.517 . . . . 63.41 112.298 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.82 137.78 32.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.306 . . . . 52.33 110.681 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.402 HD12 ' CZ2' ' A' ' 53' ' ' TRP . 6.2 tt -75.45 108.55 8.33 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.312 -0.625 . . . . 65.32 109.312 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.532 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 41.1 ttm180 -99.98 129.2 46.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 74.21 110.615 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt -94.96 103.33 15.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.76 -0.459 . . . . 54.24 109.76 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.35 122.7 40.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.752 -0.658 . . . . 74.35 109.966 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.09 140.93 15.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.192 -0.528 . . . . 73.1 111.817 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -131.04 163.47 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 73.12 111.231 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -104.5 138.24 41.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.67 -0.863 . . . . 72.52 108.67 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 44.1 t0 -68.78 144.5 54.32 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.209 0.318 . . . . 74.35 111.003 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -148.42 179.13 8.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 110.145 -0.317 . . . . 72.2 110.145 -179.277 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 21.7 mt-30 74.21 -3.24 2.59 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.611 0.764 . . . . 72.03 111.492 -173.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.17 92.6 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.708 0.29 . . . . 61.4 111.212 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -126.52 -71.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.419 -0.585 . . . . 75.54 109.419 172.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -129.0 27.01 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.056 -0.72 . . . . 73.32 109.056 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.65 136.03 56.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.006 -0.997 . . . . 50.01 112.136 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 t -95.87 21.34 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.54 0.686 . . . . 75.11 109.379 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 76' ' ' LYS . 32.7 p90 -146.45 158.97 43.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.96 -1.018 . . . . 34.31 109.624 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HB2' ' HZ3' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -138.12 16.15 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 72.34 110.297 177.197 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 23' ' ' VAL . 23.2 p -118.86 19.52 13.06 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.758 -0.655 . . . . 72.33 111.011 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 56.9 tptt -136.05 117.85 15.11 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.349 -0.387 . . . . 75.21 110.499 -176.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 64.2 mt -124.64 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 53.11 109.194 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 t -67.97 -49.55 61.02 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.568 0.223 . . . . 75.13 110.859 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.2 t -60.93 -27.87 68.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.202 0.525 . . . . 64.12 110.241 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 50' ' ' VAL . 40.3 tp -77.61 -41.13 39.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.954 -0.566 . . . . 54.14 110.309 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.27 -38.7 71.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.644 -0.707 . . . . 63.15 110.285 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.04 -40.38 60.43 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.785 -0.643 . . . . 64.54 110.538 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.39 -41.89 85.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.755 -0.657 . . . . 71.14 111.352 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.57 -38.03 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 74.35 110.706 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -61.99 -26.45 68.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.767 -0.651 . . . . 75.33 110.759 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.85 -43.02 89.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 74.33 111.65 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -100.06 -47.39 5.01 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.989 0.423 . . . . 72.11 111.885 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 33.9 t -76.65 85.5 3.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.303 0.573 . . . . 61.11 111.818 -168.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -92.43 -57.47 2.68 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.881 -0.785 . . . . 64.01 108.881 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -164.1 143.98 8.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.344 -0.844 . . . . 73.35 109.345 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.94 79.89 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.495 -0.642 . . . . 64.43 111.495 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -84.79 161.55 19.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 72.31 111.204 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.59 142.73 15.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.633 -0.712 . . . . 64.12 109.554 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -165.38 175.46 9.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.678 0.275 . . . . 71.05 110.584 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 36.7 p90 -151.93 144.91 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 74.43 110.54 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.483 HG13 HG22 ' A' ' 50' ' ' VAL . 42.7 t -121.19 117.4 52.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 116.589 -0.278 . . . . 65.11 110.768 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.1 128.38 53.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.237 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HZ3' ' HB2' ' A' ' 74' ' ' GLU . 72.4 tttt -108.59 138.18 45.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 73.23 110.403 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.6 135.26 51.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 64.43 110.854 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 21' ' ' GLU . 31.7 mm -105.29 140.82 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.895 -0.78 . . . . 64.41 108.895 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 102' ' ' LYS . 93.1 mtt180 -81.25 72.05 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 73.13 112.117 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER 173.31 179.76 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.939 -1.028 . . . . 74.21 108.664 168.552 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -144.34 116.75 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.173 -1.047 . . . . 74.15 108.173 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 14' ' ' LEU . 43.3 tt0 -60.4 85.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.216 0.532 . . . . 72.44 110.67 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -69.45 88.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.401 -0.818 . . . . 62.44 109.878 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -58.27 -44.34 88.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 71.41 110.628 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -142.18 95.01 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 74.24 110.121 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -73.55 100.31 3.26 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.92 -0.77 . . . . 75.41 108.92 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -52.94 99.2 0.02 OUTLIER 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.41 -0.814 . . . . 71.1 110.964 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.466 -0.778 . . . . 74.21 109.976 -179.479 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 121.102 0.477 . . . . 35.52 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -140.92 150.19 20.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.066 -0.515 . . . . 64.54 109.95 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.21 -152.12 27.76 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 111.885 -0.486 . . . . 63.34 111.885 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.38 142.33 23.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.688 0.28 . . . . 72.45 110.481 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -88.19 -58.75 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.148 0.499 . . . . 72.3 110.601 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 5.0 pt-20 -150.89 -50.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 65.42 110.935 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 4.0 ttpm? 63.08 22.13 13.26 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.742 -0.663 . . . . 71.23 110.649 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.489 ' HG3' ' HB2' ' A' ' 6' ' ' GLU . 78.8 mtm180 -71.43 -58.96 3.04 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.38 -147.44 47.27 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.66 -0.7 . . . . 64.43 111.564 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' ILE . 39.2 tt0 -140.44 -53.29 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.103 0.451 . . . . 70.34 110.47 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.475 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.4 mt -131.08 101.25 5.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.07 0.462 . . . . 53.52 110.192 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.61 115.62 30.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.434 -0.803 . . . . 73.41 110.166 -178.359 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 HG13 HD21 ' A' ' 97' ' ' LEU . 36.4 mm -104.35 107.56 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 63.13 110.755 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.36 116.78 29.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.5 tt -150.41 144.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 74.43 111.23 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.597 ' HG2' HG12 ' A' ' 15' ' ' ILE . 30.3 mm-40 51.16 36.93 16.94 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.119 0.568 . . . . 72.34 111.925 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 62.0 38.61 14.05 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.811 -0.631 . . . . 73.05 111.059 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.01 137.44 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.774 -0.648 . . . . 73.43 109.36 173.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.03 127.63 50.21 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.879 0.371 . . . . 60.31 110.247 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -119.63 162.68 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 72.23 109.646 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -135.84 146.1 47.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.911 -0.403 . . . . 74.44 109.911 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 11' ' ' ILE . 61.6 tp -74.17 111.49 9.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.869 -0.419 . . . . 72.54 109.869 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.56 -9.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 61.44 111.726 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -168.47 137.52 2.31 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.289 -0.164 . . . . 74.03 111.155 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.474 HD22 ' HB3' ' A' ' 95' ' ' PHE . 24.0 t-20 -144.16 153.08 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 62.51 110.456 176.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 17.6 t80 -136.12 133.51 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.22 109.905 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 10.8 mmpt? 58.41 26.28 13.93 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.753 0.658 . . . . 75.31 111.585 175.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 61.4 27.8 17.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.09 -0.505 . . . . 54.11 110.983 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.61 3.95 5.76 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 116.168 -0.469 . . . . 73.52 113.921 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -83.26 112.13 19.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.459 0.63 . . . . 71.32 110.431 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -130.38 98.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.822 -0.807 . . . . 73.34 108.822 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 23.1 tt0 -54.9 -45.24 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.336 -0.393 . . . . 51.02 111.373 -172.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.2 -37.07 66.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.503 -0.317 . . . . 63.44 110.901 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -74.93 -45.69 40.83 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.18 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.62 -55.77 22.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 72.11 110.702 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.1 ptmt -68.62 -18.98 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 65.53 111.271 -175.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.07 -35.68 49.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 75.34 110.887 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 32.5 mmt180 -95.7 -19.48 19.66 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.143 -0.481 . . . . 74.03 111.113 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -67.13 147.41 53.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.449 -0.341 . . . . 73.53 110.905 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB3' HG22 ' A' ' 42' ' ' ILE . 46.4 t -148.1 168.51 22.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.049 -0.523 . . . . 71.32 110.185 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.6 -24.93 66.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 72.4 110.504 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 40' ' ' SER . 9.4 tp -61.35 -25.7 37.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 115.811 -0.631 . . . . 72.41 110.952 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 92.0 mt -93.36 -12.17 30.56 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.92 -0.582 . . . . 63.23 111.545 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -64.52 -21.74 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.399 -0.364 . . . . 74.13 111.75 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -80.16 -12.88 59.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.294 0.479 . . . . 70.15 112.294 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 71.0 m-85 -78.93 -34.57 44.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.934 0.346 . . . . 72.32 111.934 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.9 m-20 67.78 0.63 2.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.889 0.476 . . . . 73.14 111.365 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 40.3 m-85 -144.62 115.96 8.02 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.903 0.481 . . . . 74.22 109.777 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 42.9 mm -119.62 119.11 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.942 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.12 123.79 68.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 61.15 110.347 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -119.13 128.83 7.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.218 -0.515 . . . . 71.05 111.851 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . 10.0 t70 -126.54 146.14 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 71.34 109.713 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -85.27 -36.21 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 70.32 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.35 -82.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.579 0 C-N-CA 121.206 -0.521 . . . . 51.42 111.904 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -127.54 26.04 5.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.19 0.519 . . . . 74.24 109.927 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.78 2.04 46.15 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.796 -0.638 . . . . 75.21 111.966 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -92.04 76.14 5.46 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.624 -0.51 . . . . 75.13 109.624 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.54 97.44 0.59 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.305 0.574 . . . . 75.23 110.061 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -116.7 147.46 41.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 73.51 109.799 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.8 135.15 43.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.006 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -122.33 123.96 42.61 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.002 -0.74 . . . . 62.12 109.002 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.86 140.58 17.19 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.135 -0.555 . . . . 73.2 112.429 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.2 m-85 -139.53 163.31 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.675 -0.491 . . . . 71.52 109.675 176.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.95 159.61 18.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.464 -0.939 . . . . 75.43 108.464 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 5.2 p-10 -63.83 108.29 1.42 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.408 0.623 . . . . 72.33 110.237 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 5.3 t70 -69.49 -56.61 6.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.837 . . . . 73.12 111.383 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.51 71.53 1.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.643 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -82.52 69.61 9.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.622 -0.881 . . . . 64.42 108.622 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -167.8 171.3 10.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.116 -0.947 . . . . 74.24 109.734 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -75.47 92.34 2.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.465 0.65 . . . . 71.54 111.635 -172.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.16 144.91 51.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.054 -0.976 . . . . 75.13 109.171 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.0 m -62.69 -13.3 30.68 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.269 0.557 . . . . 44.03 111.235 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' HD2' ' HB2' ' A' ' 76' ' ' LYS . 2.0 p90 -142.68 87.03 1.97 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.4 0.619 . . . . 70.32 110.561 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.71 -37.29 85.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.191 -0.913 . . . . 73.33 111.044 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.402 HG22 ' HE1' ' A' ' 48' ' ' TYR . 14.5 p -64.58 -2.77 2.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.462 0.912 . . . . 70.41 113.462 -170.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 73' ' ' PHE . 26.0 tptp -78.94 70.14 5.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.532 0.682 . . . . 72.35 109.635 177.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 66.6 mt -71.69 113.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 65.31 110.888 -176.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -53.85 -56.65 15.7 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.47 -0.332 . . . . 74.44 111.854 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -56.6 -25.95 54.23 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.864 0.364 . . . . 71.22 111.127 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -77.14 -42.18 38.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.204 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.24 -42.05 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.204 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 43.9 mt-10 -61.89 -42.04 98.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.417 -0.81 . . . . 53.01 110.214 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -49.48 77.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.879 -0.6 . . . . 61.44 110.079 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -58.33 -38.11 67.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.709 . . . . 72.23 110.556 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.13 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 74.15 111.072 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mt-10 -73.76 -59.77 2.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.98 0.419 . . . . 75.02 111.207 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.22 -49.7 7.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 65.43 111.841 -170.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 48.9 t -80.06 74.21 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.307 0.575 . . . . 75.31 110.327 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -83.13 -53.75 5.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 74.44 110.163 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -164.25 148.16 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.671 -0.695 . . . . 63.32 109.299 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.19 71.45 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.942 -0.647 . . . . 32.45 112.401 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -92.09 163.93 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.548 0.339 . . . . 75.32 110.12 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -154.92 99.14 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.021 -0.363 . . . . 63.14 110.021 -176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 51.6 p90 -118.81 163.13 17.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.068 0.461 . . . . 70.12 111.196 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' ASN . 51.5 p90 -142.01 146.15 35.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.623 -0.717 . . . . 71.22 109.859 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.12 117.9 55.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.648 0.261 . . . . 74.45 110.456 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.501 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -103.84 132.27 50.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 72.25 110.282 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -107.43 128.74 54.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.428 -0.582 . . . . 73.13 109.428 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -78.64 126.74 31.16 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.338 -0.616 . . . . 71.34 109.338 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.06 -57.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.097 -0.501 . . . . 40.02 110.84 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG2' ' HG3' ' A' ' 102' ' ' LYS . 36.2 ttp-105 176.49 -53.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 73.03 109.62 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HG3' ' HG2' ' A' ' 101' ' ' ARG . 68.1 mttm -142.25 -167.46 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.342 -0.845 . . . . 73.42 109.536 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -128.1 116.38 19.89 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.511 -0.922 . . . . 64.42 108.511 174.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -67.38 86.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.562 0.696 . . . . 52.23 110.348 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -88.94 50.88 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.23 -0.896 . . . . 70.24 109.031 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.74 -76.24 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.136 -0.938 . . . . 74.44 110.818 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -157.28 103.81 2.01 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.679 -0.489 . . . . 75.03 109.679 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -92.23 85.48 5.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 62.25 110.138 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 t60 74.34 -35.04 0.29 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.025 0.93 . . . . 74.22 111.629 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.719 -0.657 . . . . 72.51 109.965 178.849 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.168 -0.308 . . . . 71.22 110.168 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 2' ' ' ILE . 2.9 mp -93.62 86.4 2.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 109.545 -0.539 . . . . 70.15 109.545 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.51 -28.71 12.17 Favored Glycine 0 C--N 1.33 0.244 0 CA-C-N 115.986 -0.552 . . . . 32.33 111.86 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 ttt -132.56 120.91 22.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.728 -0.471 . . . . 71.12 109.728 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -78.46 -173.03 3.15 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.131 0.491 . . . . 64.24 110.627 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -84.47 131.9 34.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 75.13 110.625 -174.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -94.73 21.39 7.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 63.54 110.073 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 65.1 23.57 12.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.315 -0.857 . . . . 74.4 110.548 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.52 150.02 6.72 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 114.948 -1.024 . . . . 74.31 110.549 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.39 -63.95 1.0 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.272 0.536 . . . . 74.53 110.016 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -136.54 87.65 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.749 -0.659 . . . . 71.14 109.47 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.42 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -84.4 122.44 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.346 -0.843 . . . . 71.55 110.167 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.543 HG13 HD21 ' A' ' 97' ' ' LEU . 36.1 mm -106.96 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.093 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 14' ' ' LEU . 7.1 mp -91.67 112.52 24.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.009 -0.367 . . . . 61.22 110.009 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.8 tt -143.97 139.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 72.12 110.063 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.549 ' HG2' HG12 ' A' ' 15' ' ' ILE . 29.1 mm-40 57.14 29.09 16.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.396 -0.365 . . . . 74.12 111.063 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 62.29 32.62 16.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.442 0.639 . . . . 74.43 110.918 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -130.67 126.63 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.284 -0.871 . . . . 61.5 108.854 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HB2' HD13 ' A' ' 103' ' ' LEU . 34.3 tt0 -90.83 130.48 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 64.43 110.092 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -121.72 171.64 8.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.534 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.1 pt-20 -145.25 147.81 32.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.881 0.372 . . . . 71.44 110.161 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.02 108.2 5.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 51.44 109.39 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 75' ' ' THR . 35.0 m -101.09 -25.48 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.107 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 20.0 t60 -147.84 132.86 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.617 -0.512 . . . . 64.03 109.617 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 28' ' ' ASP . 45.0 t30 -142.09 143.61 33.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.667 -0.494 . . . . 74.31 109.667 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 43.0 t80 -131.95 118.43 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 74.0 110.596 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 18.2 ttmm 64.69 23.69 12.81 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.154 -0.93 . . . . 73.33 110.652 172.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.461 ' HA ' HD21 ' A' ' 25' ' ' ASN . 35.1 m-20 61.73 29.39 18.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.237 -0.892 . . . . 71.53 110.657 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.65 -11.86 60.77 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.796 -0.638 . . . . 41.55 112.328 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.3 120.85 13.52 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.037 0.446 . . . . 71.24 111.154 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.688 HD21 ' HZ2' ' A' ' 53' ' ' TRP . 3.3 p30 -147.91 103.38 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 75.43 110.349 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 35' ' ' PHE . 35.0 tt0 -55.13 -37.61 67.14 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.911 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.01 -46.24 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.897 -0.592 . . . . 73.14 111.633 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.61 -37.95 41.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 63.34 110.418 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . 57.8 t80 -52.88 -61.41 2.31 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.151 -0.931 . . . . 73.21 111.194 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.8 -30.92 71.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.882 -0.599 . . . . 51.15 111.026 -175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.6 68.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.289 -0.414 . . . . 55.33 111.337 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 mmp_? -115.29 6.79 15.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.599 -0.273 . . . . 72.52 111.265 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -68.66 133.58 48.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.914 0.387 . . . . 74.2 110.936 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.9 t -123.01 149.75 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 75.24 109.882 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.98 -34.29 77.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.01 -0.541 . . . . 54.11 111.459 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 tp -56.32 -34.63 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.166 0.507 . . . . 74.44 110.677 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB3' HD12 ' A' ' 49' ' ' ILE . 77.9 mt -69.05 -32.67 72.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.775 -0.648 . . . . 72.12 111.11 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.02 -33.19 68.69 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.887 -0.597 . . . . 74.21 111.252 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 5.4 tmmm? -70.65 -22.65 62.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.654 -0.703 . . . . 72.43 111.62 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.2 m-85 -76.1 -22.16 55.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.581 0.229 . . . . 72.44 111.478 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 46.8 m-20 71.01 1.23 3.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.121 0.568 . . . . 74.45 111.631 -177.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -139.4 118.29 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 71.5 110.222 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.9 mm -110.82 113.88 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.386 -0.598 . . . . 74.42 109.386 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.08 113.93 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.878 -0.416 . . . . 71.32 109.878 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.71 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.973 -0.851 . . . . 73.13 110.973 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.98 154.6 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 73.3 110.227 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.688 ' HZ2' HD21 ' A' ' 31' ' ' ASN . 80.4 m95 -105.02 4.09 31.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.606 . . . . 72.23 110.169 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.99 -21.5 65.48 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.456 -0.402 . . . . 53.4 112.386 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.03 -13.02 43.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.665 0.386 . . . . 64.33 110.612 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.08 -46.42 1.17 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.635 -0.986 . . . . 51.1 110.635 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -115.99 171.49 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.894 -0.78 . . . . 61.03 108.894 172.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.66 101.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.245 -0.65 . . . . 65.22 109.245 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -111.4 137.99 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.864 -0.607 . . . . 72.51 110.812 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.56 133.1 49.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.117 -0.697 . . . . 52.21 109.117 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 4.4 tmtm? -127.42 132.62 50.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.698 -0.852 . . . . 71.23 108.698 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -98.38 131.75 10.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.289 -0.481 . . . . 74.51 112.157 -178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.4 m-85 -123.5 166.55 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.394 -0.595 . . . . 74.42 109.394 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.8 154.02 19.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.843 -0.428 . . . . 73.33 109.843 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.76 108.63 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.611 0.57 . . . . 54.24 109.603 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 16.5 t70 -92.08 -77.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.562 -0.745 . . . . 74.04 110.725 -170.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -89.38 81.17 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 72.34 109.839 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -82.2 -13.64 56.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.402 -0.817 . . . . 71.43 109.597 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.25 87.5 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.047 -0.978 . . . . 74.33 110.356 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HG2' ' HB3' ' A' ' 74' ' ' GLU . 6.6 tmtm? -68.78 88.9 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.959 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.88 -86.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 63.21 109.527 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -107.15 -1.52 21.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.463 0.649 . . . . 73.14 109.455 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 53.6 p90 -149.94 174.52 12.6 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.074 -0.967 . . . . 54.44 108.94 178.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.605 ' HB3' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -148.91 -37.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 72.43 110.807 179.069 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.417 HG21 HG11 ' A' ' 23' ' ' VAL . 25.6 p -94.76 72.64 3.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.377 0.608 . . . . 64.3 111.077 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -140.44 138.14 34.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.593 -0.731 . . . . 72.32 109.525 176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 63.2 mt -125.73 116.32 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.624 -0.51 . . . . 50.55 109.624 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.1 t -57.23 -52.57 64.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 73.53 111.097 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -62.14 -22.96 66.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 62.42 110.926 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 84' ' ' ILE . 55.3 tp -74.74 -41.05 60.84 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.542 -0.299 . . . . 61.41 110.214 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.05 -36.64 65.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.506 0.67 . . . . 71.01 109.642 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.32 -40.46 44.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.205 -0.907 . . . . 63.44 110.293 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.01 -42.68 69.35 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.388 -0.823 . . . . 64.44 110.946 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 80' ' ' LEU . 48.5 mm -58.11 -42.75 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.929 -0.578 . . . . 65.14 110.807 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -62.51 -41.36 98.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.897 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.17 -42.59 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 54.11 111.165 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -97.18 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 65.54 112.292 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.2 t -74.23 -17.35 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 73.11 110.9 -173.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 47.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.059 0.763 . . . . 65.44 113.059 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.8 -10.77 59.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.876 0.37 . . . . 64.34 111.432 -169.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.06 55.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.413 -0.675 . . . . 60.04 111.413 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.749 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 22.5 p -62.84 -79.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.852 0.461 . . . . 65.32 111.35 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -179.48 142.23 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.888 -0.412 . . . . 53.13 109.888 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -167.3 168.22 13.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.374 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -147.58 148.65 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 71.23 110.252 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 48.6 t -125.88 123.44 64.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.83 0.348 . . . . 65.14 110.561 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.543 HD21 HG13 ' A' ' 13' ' ' ILE . 10.8 mp -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 45.14 110.119 176.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -107.73 139.32 42.47 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.914 -0.402 . . . . 73.53 109.914 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 100' ' ' ILE . 3.6 tmm_? -75.48 120.24 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.334 -0.617 . . . . 63.24 109.334 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.534 HD11 ' HG2' ' A' ' 21' ' ' GLU . 41.4 mm -71.28 150.02 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 72.22 110.901 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -41.47 -40.54 1.82 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 73.22 111.778 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -174.69 -178.35 1.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.925 -0.58 . . . . 72.54 109.488 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 19' ' ' GLU . 3.7 mm? -78.52 59.29 2.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.942 0.401 . . . . 74.43 110.644 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -173.18 150.59 1.95 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.135 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.06 167.42 16.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.455 -0.339 . . . . 73.1 110.668 -176.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.7 t60 66.03 67.55 0.47 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.918 0.761 . . . . 72.25 109.425 -174.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -69.47 133.48 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.052 -0.976 . . . . 63.44 111.812 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -93.3 10.15 33.27 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 73.22 109.766 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -77.59 42.28 0.36 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.357 -0.838 . . . . 75.34 109.664 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.3 p80 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 124.243 1.017 . . . . 53.45 112.617 -173.629 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.376 0.131 . . . . 74.05 111.266 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.34 146.46 11.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 110.229 -0.286 . . . . 72.4 110.229 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.52 76.42 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.56 -0.616 . . . . 44.33 111.56 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.475 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.6 mpp? -76.37 68.81 2.78 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.461 0.648 . . . . 71.31 109.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -154.09 161.6 41.79 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.804 -1.089 . . . . 64.34 108.717 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.58 -175.83 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.646 0.26 . . . . 71.2 110.847 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HG2' HG21 ' A' ' 100' ' ' ILE . 51.8 tptt -167.15 141.99 3.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.077 -0.511 . . . . 65.41 109.934 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -142.4 162.58 35.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 74.33 110.549 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.5 178.05 28.19 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.031 -0.827 . . . . 31.21 111.031 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.72 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 74.25 109.858 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 22' ' ' LEU . 64.9 mt -128.01 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 73.21 109.498 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -90.13 119.83 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.577 -0.738 . . . . 64.41 110.661 -177.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -107.54 105.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 71.52 110.029 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.18 120.79 41.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.114 -0.328 . . . . 73.51 110.114 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.561 HG12 ' HG2' ' A' ' 16' ' ' GLN . 14.2 tt -147.43 142.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 74.42 110.107 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.3 mm100 56.51 24.39 8.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.645 0.378 . . . . 72.21 111.055 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' O ' HD21 ' A' ' 103' ' ' LEU . 20.3 m120 62.09 52.12 3.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.784 0.802 . . . . 75.31 109.957 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.94 117.96 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -1.218 . . . . 44.1 108.513 171.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 67.1 tt0 -90.77 114.72 27.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.44 -0.345 . . . . 71.23 110.842 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.52 171.2 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 75.21 109.702 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -142.31 150.59 41.01 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.974 -0.38 . . . . 74.23 109.974 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 11' ' ' ILE . 59.0 tp -77.66 109.3 11.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.604 -0.517 . . . . 74.55 109.604 176.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.03 -20.13 5.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.659 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.4 t60 -150.75 132.67 15.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.689 0.28 . . . . 75.43 110.737 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -132.95 146.44 51.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.756 -0.831 . . . . 74.23 108.756 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.55 114.86 11.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.514 -0.55 . . . . 72.25 109.514 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 60.18 28.19 17.74 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.475 0.484 . . . . 42.44 110.992 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 58.69 34.63 23.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.973 -0.558 . . . . 72.14 110.796 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -13.86 64.31 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.382 -0.826 . . . . 75.41 112.542 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.15 119.87 10.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.872 0.368 . . . . 71.05 110.541 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -138.2 107.79 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.989 -0.745 . . . . 71.04 108.989 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -69.19 -47.23 65.45 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.338 0.399 . . . . 74.14 111.651 -171.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.11 -44.64 96.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.617 0.246 . . . . 45.43 110.716 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.3 66.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 70.03 110.677 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.14 -60.65 3.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 74.34 110.401 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -69.18 -20.24 64.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 71.33 110.947 -175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.72 -29.14 62.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.4 . . . . 60.4 110.732 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -101.17 -9.99 20.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.395 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.494 ' HA ' HD23 ' A' ' 60' ' ' LEU . 68.6 t80 -66.44 124.8 23.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 73.42 111.066 -177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -119.68 152.6 36.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 72.42 109.119 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.853 0.316 . . . . 64.52 111.853 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 tp -57.76 -31.06 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.995 0.426 . . . . 52.35 111.145 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 86.8 mt -76.58 -15.63 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.314 -176.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.17 -22.84 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.85 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 19.1 ptpt -87.02 -4.4 59.17 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.706 0.261 . . . . 74.24 111.706 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.627 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 79.6 m-85 -88.31 -39.1 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.688 0.28 . . . . 74.54 110.755 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 73.01 1.69 4.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.666 -0.697 . . . . 63.22 111.627 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -136.56 115.88 12.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 72.42 109.062 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 43' ' ' LEU . 15.5 mm -115.35 121.27 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 74.51 110.293 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.22 120.67 59.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.134 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.17 121.7 6.98 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.831 -0.699 . . . . 42.51 111.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -109.73 135.81 50.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.894 0.378 . . . . 71.44 110.592 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.68 34.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.971 0.415 . . . . 73.44 110.302 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.74 91.95 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.741 -0.663 . . . . 72.34 113.419 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -129.43 83.5 2.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.176 0.488 . . . . 63.21 110.761 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.92 -91.76 0.05 OUTLIER Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.714 -0.675 . . . . 73.13 113.079 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -78.42 140.41 38.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.298 -0.63 . . . . 74.53 109.298 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.44 133.52 55.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.509 0.671 . . . . 73.14 110.856 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -94.38 129.32 41.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.996 -1.002 . . . . 63.03 108.352 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 39' ' ' TYR . 11.6 tp -101.43 109.43 21.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 73.02 110.191 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -105.73 158.73 16.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.341 -0.845 . . . . 52.22 109.715 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.84 146.37 16.92 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.665 -0.574 . . . . 62.15 111.665 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.73 167.07 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.787 -0.449 . . . . 74.52 109.787 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -105.51 170.06 8.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.335 . . . . 75.03 110.382 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.71 132.32 51.68 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.31 -0.405 . . . . 72.45 110.471 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 77' ' ' ILE . 35.3 t70 -147.01 176.95 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.378 -0.601 . . . . 64.22 109.378 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' HB3' ' HB2' ' A' ' 73' ' ' PHE . 18.4 mm-40 67.39 19.37 10.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.612 0.72 . . . . 71.42 109.466 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -78.98 -16.08 57.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.963 -174.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.0 -47.39 68.66 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.209 -0.663 . . . . 72.53 109.209 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.541 ' HD3' ' HE2' ' A' ' 73' ' ' PHE . 51.4 tttp -100.79 73.67 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.562 -0.903 . . . . 71.41 108.562 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 86.08 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.177 -0.92 . . . . 61.35 111.739 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.3 m -157.4 -33.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.281 -0.872 . . . . 63.02 109.385 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.593 ' HB3' ' HB2' ' A' ' 76' ' ' LYS . 99.1 m-85 -79.05 71.94 5.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.76 -0.655 . . . . 75.32 110.567 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 98' ' ' LYS . 9.8 tp10 -66.11 -22.87 66.41 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.928 -0.578 . . . . 71.42 111.643 -177.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -126.81 21.77 6.91 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.913 0.387 . . . . 72.31 111.906 -173.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 73' ' ' PHE . 35.3 mmtm -132.12 148.36 52.48 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.567 -0.288 . . . . 73.52 110.578 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 66' ' ' ASP . 74.6 mt -141.23 131.5 26.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.698 -0.482 . . . . 73.54 109.698 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -63.27 -57.28 10.96 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.562 -0.29 . . . . 70.14 111.158 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -58.08 -24.82 60.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.011 0.434 . . . . 52.42 110.986 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 84' ' ' ILE . 30.5 tp -70.88 -49.52 45.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.081 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.83 -39.12 65.28 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.012 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.61 -47.91 74.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.34 -0.846 . . . . 75.25 110.713 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -60.29 -36.25 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.692 -0.685 . . . . 74.14 110.949 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -63.73 -41.44 92.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.493 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.96 -27.23 63.24 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.365 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -77.1 -16.8 59.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.326 . . . . 71.35 111.347 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -132.76 -76.37 0.49 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.136 0.421 . . . . 72.33 112.136 -174.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.827 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 85.3 m -87.03 97.96 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 71.01 112.145 -171.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.56 -35.67 3.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.715 -0.675 . . . . 72.4 109.605 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -139.08 115.26 10.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.385 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.67 -42.86 2.29 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.534 -0.365 . . . . 70.43 113.031 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.827 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 51.5 t -56.1 129.77 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.153 0.581 . . . . 62.22 110.307 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 162.84 15.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 53.01 110.961 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -163.98 176.36 9.46 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.401 -0.363 . . . . 75.45 110.671 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.7 151.87 34.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.483 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 61.7 t -127.22 122.84 60.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 120.71 0.291 . . . . 74.4 111.126 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.66 135.49 48.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.956 -0.565 . . . . 75.45 110.432 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' HE2' ' HG3' ' A' ' 74' ' ' GLU . 55.9 tttp -109.49 141.45 41.92 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.273 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 37.8 tpt85 -75.93 128.37 34.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 72.4 111.087 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 102' ' ' LYS . 45.8 mm -78.34 154.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 73.03 109.857 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.67 -7.2 53.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.95 0.405 . . . . 74.44 111.107 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.693 ' H ' HG22 ' A' ' 100' ' ' ILE . 1.7 mmpt? -106.02 -167.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.312 0.577 . . . . 74.14 111.308 -177.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD21 ' O ' ' A' ' 17' ' ' ASN . 2.4 tm? -158.3 -55.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.646 -1.242 . . . . 74.4 107.646 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.9 123.14 39.36 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.761 -1.199 . . . . 71.45 107.761 170.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -144.65 133.6 22.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.306 -0.406 . . . . 61.51 110.152 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -149.56 135.05 18.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.723 -0.671 . . . . 73.43 109.315 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -69.37 126.24 29.15 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.587 -0.523 . . . . 74.21 109.587 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -66.51 -30.62 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 65.21 111.303 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.62 167.18 9.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.921 -0.4 . . . . 44.35 109.921 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.208 -0.901 . . . . 71.11 109.75 174.011 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' C ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.284 -0.265 . . . . 61.53 110.284 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.8 pt -75.03 77.79 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.767 0.794 . . . . 64.4 110.989 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.8 -127.52 1.82 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.298 -0.865 . . . . 65.33 111.522 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.4 mtt 64.74 14.26 8.99 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.949 0.5 . . . . 73.44 111.492 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -77.28 74.37 3.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.413 0.625 . . . . 61.51 109.808 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.5 110.88 3.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.09 -0.959 . . . . 75.4 110.952 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -143.84 127.35 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.404 -0.816 . . . . 61.33 109.889 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 10' ' ' GLU . 7.3 tmm_? -93.0 -38.66 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.87 -0.419 . . . . 65.11 109.87 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.77 103.48 0.71 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.084 -0.806 . . . . 64.52 111.084 -177.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 13.4 tp10 -62.27 -63.51 1.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.887 0.375 . . . . 73.41 110.455 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 22' ' ' LEU . 63.7 mt -135.44 86.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.196 -0.668 . . . . 63.25 109.196 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.12 132.13 36.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.353 -0.84 . . . . 74.42 110.729 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 97' ' ' LEU . 29.8 mm -120.2 98.98 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 74.11 109.222 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -100.94 111.87 24.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.238 -0.437 . . . . 73.54 109.915 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.1 tt -141.21 130.04 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.331 -0.395 . . . . 63.13 110.876 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.603 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.3 mm-40 54.42 44.3 29.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.102 -0.499 . . . . 55.34 111.579 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 65.98 18.92 11.18 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.011 -0.54 . . . . 63.0 111.783 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.38 122.49 46.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.024 -0.362 . . . . 55.12 110.024 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.98 113.53 27.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 74.53 110.881 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.48 172.47 7.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.761 -0.654 . . . . 71.24 109.482 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 7.6 pt-20 -148.58 152.78 37.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.018 -0.364 . . . . 71.41 110.018 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 11' ' ' ILE . 60.7 tp -75.69 106.71 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.41 110.247 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.0 -17.69 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.4 -0.364 . . . . 72.32 111.395 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -158.85 133.74 8.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.601 -0.272 . . . . 72.24 110.838 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -131.98 151.22 51.86 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.366 -0.605 . . . . 60.3 109.366 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -137.86 121.7 17.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.207 -0.664 . . . . 75.2 109.207 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 11.4 ttmm 61.02 24.12 14.24 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.842 0.714 . . . . 65.12 110.409 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 t70 58.04 34.97 24.8 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.012 -0.994 . . . . 65.03 110.438 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.82 -13.67 61.79 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.687 -0.688 . . . . 75.45 112.679 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -64.6 120.3 12.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 73.21 111.23 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -138.62 104.47 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.964 -0.754 . . . . 74.34 108.964 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.75 -48.21 59.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.303 0.377 . . . . 73.12 110.899 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -57.14 -40.91 78.12 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.886 -0.597 . . . . 74.2 111.122 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.64 68.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.412 -0.358 . . . . 64.31 110.459 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.86 -56.87 16.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 73.13 110.52 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.66 -19.41 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 72.11 111.159 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.24 52.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 72.42 110.604 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 11.8 mmp_? -94.24 -8.29 39.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.22 -0.445 . . . . 64.45 111.238 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -64.21 150.9 44.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.247 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -153.18 165.0 37.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.124 -0.489 . . . . 64.31 109.825 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.78 -35.11 79.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.445 -0.343 . . . . 61.32 111.571 -174.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.1 tp -54.19 -33.28 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.024 0.44 . . . . 74.43 111.088 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 94.8 mt -65.96 -20.38 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.128 -0.487 . . . . 75.25 111.701 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.56 -25.39 68.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.363 -0.381 . . . . 74.31 111.749 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -75.19 -12.89 60.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.668 0.271 . . . . 74.12 111.301 -176.4 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.405 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 94.9 m-85 -91.18 -47.3 7.6 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.431 -0.349 . . . . 73.33 110.345 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 71.09 1.47 3.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.396 -0.82 . . . . 72.51 111.316 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -134.43 114.51 12.97 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.827 -0.805 . . . . 73.32 108.827 173.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 29.2 mm -118.2 119.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.09 -0.337 . . . . 60.13 110.09 -176.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 45.9 t -117.19 107.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.271 -0.422 . . . . 61.23 110.286 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -89.7 121.62 6.19 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.232 -0.747 . . . . 74.52 111.232 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.72 159.07 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 71.3 111.052 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . 70.7 m95 -123.49 30.98 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.059 -0.973 . . . . 74.12 108.756 175.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.15 -54.24 2.05 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.545 -0.752 . . . . 21.12 114.642 -170.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -124.05 37.6 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.043 0.449 . . . . 63.43 110.728 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.72 21.59 63.51 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.976 -0.556 . . . . 55.44 111.931 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -120.95 114.52 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.831 -0.433 . . . . 55.21 109.831 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.435 HD23 ' NE1' ' A' ' 53' ' ' TRP . 3.2 tm? -83.24 106.01 14.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.383 -0.599 . . . . 64.43 109.383 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 17.1 mtp180 -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 63.41 110.16 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -97.91 114.78 26.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 74.32 110.465 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -103.21 129.26 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 72.54 109.445 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.18 145.01 17.39 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 121.071 -0.585 . . . . 75.34 112.629 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -139.8 169.74 17.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.886 0.374 . . . . 53.41 110.566 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.72 155.25 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.93 -0.766 . . . . 73.52 108.93 175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.83 108.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.162 0.506 . . . . 63.44 110.357 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.72 -68.58 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.182 -0.673 . . . . 73.42 109.182 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -77.2 90.77 3.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.557 -0.905 . . . . 71.32 108.557 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -58.94 167.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.199 -0.91 . . . . 75.12 111.996 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.54 -20.44 46.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.597 -0.729 . . . . 73.43 111.81 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -80.92 13.38 2.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.849 0.357 . . . . 74.13 110.862 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.83 173.08 7.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.025 176.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -61.9 -47.4 85.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 62.24 111.352 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -103.86 102.64 12.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 75.21 110.652 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.05 24.22 2.17 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.113 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.1 p -139.85 -47.21 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.644 -0.707 . . . . 62.13 110.668 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.28 85.55 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.329 0.585 . . . . 71.33 110.777 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 71.6 mt -75.42 125.36 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.736 -0.665 . . . . 73.25 109.788 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -63.66 -40.61 97.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 53.14 110.183 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -37.34 67.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.674 -0.694 . . . . 65.14 110.487 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 84' ' ' ILE . 35.5 tp -67.44 -42.3 83.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 74.02 110.269 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.96 -27.4 69.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.631 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 44.1 mt-10 -68.97 -42.8 76.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.165 0.507 . . . . 71.23 109.694 174.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.62 -43.29 97.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.45 -0.795 . . . . 73.42 110.027 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -65.92 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.546 -0.752 . . . . 72.32 110.273 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' GLU . 12.2 t80 -55.63 -38.97 70.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.668 -0.696 . . . . 73.32 111.135 177.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -43.36 79.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.51 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.09 -56.62 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 70.41 111.829 -175.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.0 m -74.38 91.41 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 61.14 112.454 -171.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.09 -32.04 11.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.849 -0.797 . . . . 71.24 108.849 167.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -162.22 -66.69 0.05 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.439 -0.8 . . . . 71.13 110.363 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.4 103.14 3.01 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.344 -0.455 . . . . 61.02 112.389 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.66 179.74 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.963 -0.384 . . . . 64.14 109.963 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 53' ' ' TRP . . . -162.38 149.69 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.476 -0.564 . . . . 74.14 109.476 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.88 165.84 7.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.636 0.255 . . . . 75.44 110.712 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 46.8 p90 -143.6 140.87 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.326 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.46 119.38 61.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.624 0.249 . . . . 61.41 110.972 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 13' ' ' ILE . 9.6 mp -104.94 131.48 52.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.063 174.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.86 139.5 49.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 72.1 110.695 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -65.39 140.55 58.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 72.21 110.168 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 101' ' ' ARG . 44.5 mm -97.82 -82.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.623 0.231 . . . . 41.32 111.623 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.497 ' HG2' HG22 ' A' ' 100' ' ' ILE . 5.3 ptp180 -153.96 -170.53 3.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.014 0.435 . . . . 71.33 111.099 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 28.6 mmmt -65.74 127.06 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.606 -0.725 . . . . 64.35 109.563 171.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.39 102.31 0.06 Allowed 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.471 0.482 . . . . 74.14 111.125 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.63 97.58 0.04 OUTLIER 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.962 -0.563 . . . . 73.43 110.079 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -58.25 112.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.614 -0.721 . . . . 75.55 109.259 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -57.41 128.54 37.56 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.39 0.431 . . . . 74.1 110.265 -176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -65.86 148.79 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.549 -0.75 . . . . 72.45 111.408 -170.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -153.47 136.52 15.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.626 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -79.91 70.86 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.578 -0.527 . . . . 65.41 109.578 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 m80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 115.958 -0.565 . . . . 74.13 110.558 -173.662 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.775 0.321 . . . . 73.55 110.646 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.3 pt -100.22 130.24 49.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.052 0.453 . . . . 73.2 110.846 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.3 51.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 110.549 -1.02 . . . . 73.3 110.549 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -125.69 105.43 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.864 -0.421 . . . . 52.45 109.864 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 m -89.47 -2.8 58.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 73.33 110.417 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.78 89.26 0.26 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.627 -0.715 . . . . 53.54 110.581 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -95.52 150.75 19.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.628 -0.714 . . . . 73.24 109.588 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.666 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -131.81 130.02 41.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.523 -0.547 . . . . 61.21 109.523 177.315 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.74 74.79 0.16 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.808 -0.917 . . . . 65.4 110.808 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.56 -45.16 91.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.66 -0.496 . . . . 63.53 109.66 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 22' ' ' LEU . 58.5 mt -136.7 81.75 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.602 -0.726 . . . . 54.14 109.173 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -83.39 123.43 29.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 64.14 110.078 -179.375 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 HG13 HD21 ' A' ' 97' ' ' LEU . 36.8 mm -105.8 98.83 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.081 0.467 . . . . 65.53 110.475 -177.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.52 111.63 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 71.44 109.322 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.0 tt -137.77 132.41 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.356 -0.384 . . . . 73.21 110.483 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.583 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.2 mm100 56.43 33.92 23.33 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.298 -0.41 . . . . 72.12 111.143 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 66.19 27.56 10.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.957 -0.565 . . . . 75.44 110.64 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.53 141.6 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.639 . . . . 62.22 109.295 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -110.45 114.65 28.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.689 0.281 . . . . 74.11 110.822 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.39 171.12 12.84 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.131 0.572 . . . . 50.14 110.05 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG2' HD11 ' A' ' 100' ' ' ILE . 7.3 pt-20 -146.5 156.67 43.44 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.547 -0.538 . . . . 61.44 109.547 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 11' ' ' ILE . 58.3 tp -85.15 105.94 16.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.188 -0.301 . . . . 71.45 110.188 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.92 -22.76 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 74.1 111.416 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 17.3 t60 -154.73 138.98 16.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.409 -0.36 . . . . 71.31 110.901 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -139.7 153.97 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.403 -0.591 . . . . 73.43 109.403 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -148.62 131.82 16.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.12 110.821 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 62.11 25.59 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.437 -0.801 . . . . 64.51 111.338 171.188 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.3 21.96 12.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.254 -0.43 . . . . 71.23 111.085 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.0 72.0 Favored Glycine 0 C--O 1.238 0.403 0 CA-C-N 116.035 -0.53 . . . . 74.35 112.579 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HZ ' HD11 ' A' ' 13' ' ' ILE . 71.0 t80 -64.34 99.05 0.27 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.279 0.561 . . . . 72.12 111.203 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -123.6 109.21 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.69 . . . . 73.42 109.227 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -51.22 -42.09 60.73 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.857 0.361 . . . . 75.33 110.464 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.8 -39.15 65.25 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.524 -0.762 . . . . 71.32 111.396 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.32 -38.24 42.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 52.33 110.254 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.36 -56.73 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.584 -0.735 . . . . 74.51 110.764 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -66.19 -21.55 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 53.1 111.491 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.8 -18.78 42.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.799 0.333 . . . . 74.42 111.194 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -115.12 -14.38 11.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.341 -0.391 . . . . 73.11 111.375 -177.382 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.92 138.14 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.366 0.603 . . . . 71.23 111.772 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.7 m -144.65 148.32 34.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.177 -0.92 . . . . 75.42 109.153 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.65 -31.36 64.31 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.793 0.33 . . . . 74.33 111.718 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.54 -25.28 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.062 -0.517 . . . . 75.01 111.559 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.1 mt -79.05 -27.57 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.43 -0.35 . . . . 71.42 111.61 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.06 -33.11 71.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.347 -0.388 . . . . 74.44 111.822 -175.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -3.09 12.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.037 0.384 . . . . 72.01 112.037 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -90.6 -19.97 23.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.426 0.155 . . . . 74.01 111.121 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 69.74 -0.55 2.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.206 0.602 . . . . 72.12 111.286 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 70.6 m-85 -147.83 125.75 12.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.068 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.1 mm -111.62 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 71.14 109.645 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 61.6 t -118.51 112.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 71.54 110.204 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -115.2 121.92 5.45 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.664 -0.574 . . . . 31.43 111.664 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -118.74 142.91 47.25 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.888 -0.412 . . . . 64.54 109.888 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.452 ' HD1' ' O ' ' A' ' 93' ' ' ALA . 60.0 m95 -76.99 -34.22 57.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.017 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.49 -92.67 0.03 OUTLIER Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.945 -0.57 . . . . 74.14 112.139 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -93.92 -29.9 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 63.23 110.146 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.78 -36.35 0.5 Allowed Glycine 0 N--CA 1.454 -0.133 0 CA-C-N 115.919 -0.582 . . . . 71.54 112.018 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.49 90.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 72.51 110.352 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.76 113.63 2.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.333 -0.849 . . . . 74.52 110.677 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -122.3 143.33 49.68 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.089 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.1 mp -94.49 133.64 37.88 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.953 0.406 . . . . 75.24 110.486 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -131.0 138.76 49.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.052 -0.722 . . . . 75.12 109.052 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.75 147.24 18.52 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.95 -0.643 . . . . 61.52 112.285 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.0 m-85 -138.46 166.31 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.676 -0.49 . . . . 75.34 109.676 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.71 146.2 42.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.87 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HA ' HG12 ' A' ' 77' ' ' ILE . 4.7 p-10 -67.37 120.24 13.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.995 0.426 . . . . 73.33 111.216 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -84.8 -49.61 8.29 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.282 0.563 . . . . 64.51 109.648 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 76' ' ' LYS . 19.1 mm-40 -82.15 91.71 6.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.39 -0.823 . . . . 72.14 110.729 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 60.0 t30 -146.79 150.55 35.54 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.639 -0.874 . . . . 74.12 108.639 173.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ASN . 28.2 tt0 66.14 105.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.514 0.509 . . . . 72.23 109.854 -173.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 84.3 tttt 58.76 31.48 21.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.827 0.822 . . . . 60.33 109.317 -172.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 146.79 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 74.45 111.393 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 t -64.05 -30.07 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.681 -0.489 . . . . 72.42 109.681 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -171.47 142.05 1.6 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.376 -0.829 . . . . 71.23 108.863 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 75' ' ' THR . 42.3 tt0 -67.45 159.18 30.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.219 -0.289 . . . . 70.32 110.219 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 98' ' ' LYS . 73.4 p 57.01 21.49 6.34 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.668 0.787 . . . . 64.24 112.202 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 67' ' ' GLN . 56.1 tptt -96.5 117.55 31.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.005 0.431 . . . . 73.22 109.989 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 65' ' ' ASP . 59.7 mt -110.75 121.4 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.34 109.968 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -78.71 -42.57 27.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.498 -0.319 . . . . 65.35 111.108 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -66.68 -15.91 63.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.046 0.451 . . . . 71.54 110.518 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 HG11 ' A' ' 50' ' ' VAL . 37.4 tp -66.4 -41.8 88.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.732 -0.667 . . . . 65.34 110.335 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.48 -39.71 77.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.717 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 39.0 mt-10 -60.62 -50.13 74.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.711 -0.677 . . . . 75.55 110.001 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -58.68 -48.96 79.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.364 -0.835 . . . . 75.53 110.297 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 80' ' ' LEU . 51.4 mm -60.05 -41.13 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 72.05 110.539 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.28 -42.99 99.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.418 -0.355 . . . . 72.43 110.831 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 62.2 mm-40 -60.24 -32.49 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 72.31 110.683 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.96 -16.85 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 72.41 112.003 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 92' ' ' CYS . 25.9 t -154.3 119.56 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.089 0.774 . . . . 72.34 113.089 -171.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -105.79 -43.47 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.026 -1.101 . . . . 65.03 108.026 163.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -142.98 84.52 1.84 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.964 -1.017 . . . . 74.24 109.574 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.45 94.37 0.15 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.844 -0.693 . . . . 75.0 112.457 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 88' ' ' CYS . 5.7 p -175.87 168.53 3.02 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 122.602 0.361 . . . . 44.32 110.564 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' HD1' ' A' ' 53' ' ' TRP . . . -163.35 105.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.415 -0.587 . . . . 72.23 109.415 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 44.7 p90 -131.26 162.11 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 75.53 111.563 -173.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 43.8 p90 -133.78 147.51 51.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.259 -0.882 . . . . 71.21 109.792 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 42.8 t -122.94 116.91 50.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 123.277 0.36 . . . . 73.53 110.44 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.475 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -106.92 148.98 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.938 -0.574 . . . . 74.21 109.943 174.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HD2' HG22 ' A' ' 75' ' ' THR . 61.8 tttp -116.44 148.2 40.96 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.156 -0.313 . . . . 63.32 110.156 175.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -78.75 111.96 15.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.138 0.494 . . . . 73.13 110.036 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 21' ' ' GLU . 24.4 mm -73.86 172.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.827 -0.624 . . . . 74.24 110.189 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' H ' HG22 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -50.56 -75.51 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.637 0.375 . . . . 72.24 111.891 -178.304 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.32 156.34 1.21 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.972 0.415 . . . . 72.32 111.171 -178.737 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -61.14 116.5 4.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.302 -0.863 . . . . 71.51 111.198 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.77 113.5 13.31 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.408 -0.36 . . . . 70.53 110.091 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -77.34 97.85 5.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.614 -0.513 . . . . 62.12 109.614 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -68.26 87.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 73.31 109.645 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -60.43 -25.85 66.27 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.66 -0.7 . . . . 64.33 112.118 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -72.76 82.23 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.099 0.476 . . . . 75.45 110.304 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -162.93 115.69 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 64.42 109.709 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.569 -0.729 . . . . 73.2 110.024 178.218 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.689 0.28 . . . . 74.41 110.701 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.3 mp -97.15 94.17 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.357 -0.609 . . . . 74.4 109.357 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.89 -10.83 17.83 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.295 -0.478 . . . . 44.13 112.534 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 ttt -56.25 101.99 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.93 0.395 . . . . 74.11 111.272 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -102.1 107.58 18.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 73.1 109.406 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -116.68 -144.1 0.38 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.93 -0.577 . . . . 74.34 111.012 -171.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.647 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 79.73 -48.0 0.36 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.973 0.909 . . . . 52.23 111.663 175.555 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 8' ' ' ARG . 19.2 mtt180 -67.77 88.51 0.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.193 0.521 . . . . 73.03 110.445 176.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.53 116.78 0.53 Allowed Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.241 -0.891 . . . . 24.11 111.288 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -125.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.999 -0.741 . . . . 65.32 108.999 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.16 89.81 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.495 -0.775 . . . . 64.54 109.316 174.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.22 134.38 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.21 -0.904 . . . . 65.04 110.378 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.559 HG13 HD21 ' A' ' 97' ' ' LEU . 35.6 mm -113.84 99.88 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.431 -0.35 . . . . 51.43 110.504 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 7.5 mp -94.61 114.16 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.142 -0.318 . . . . 75.23 110.142 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.579 HG12 ' HG2' ' A' ' 16' ' ' GLN . 12.2 tt -150.1 137.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.712 -177.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.579 ' HG2' HG12 ' A' ' 15' ' ' ILE . 32.9 mm-40 56.46 47.24 19.2 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.771 0.428 . . . . 74.23 111.52 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 m120 68.78 11.36 8.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.433 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HD3' ' A' ' 99' ' ' ARG . . . -118.43 148.97 42.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 61.24 111.288 -176.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HB2' HD23 ' A' ' 103' ' ' LEU . 39.2 tt0 -117.6 113.37 21.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.993 -0.549 . . . . 74.34 110.044 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 95.8 m-85 -111.21 171.99 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.709 0.403 . . . . 64.03 110.471 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -141.93 148.54 38.84 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 25' ' ' ASN . 63.0 tp -79.24 103.3 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 75.32 110.039 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.96 -13.56 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.564 -0.289 . . . . 74.32 111.562 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -158.67 133.13 8.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 110.409 -0.219 . . . . 62.53 110.409 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.3 t30 -142.34 148.65 38.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.85 -0.796 . . . . 73.54 108.85 175.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 4.2 t80 -151.25 124.72 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.537 -0.542 . . . . 70.2 109.537 -176.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.7 mptp? 56.96 34.48 24.95 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.562 0.539 . . . . 73.3 110.94 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 54.52 31.67 15.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.593 -0.731 . . . . 73.43 111.18 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.97 -28.35 60.75 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 111.485 -0.646 . . . . 65.12 111.485 175.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -65.46 104.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.945 0.402 . . . . 71.51 110.303 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -127.53 99.0 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.75 -0.833 . . . . 71.2 108.75 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -50.94 -43.6 60.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.941 -0.572 . . . . 71.33 112.173 -171.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.05 -44.9 83.44 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.835 0.35 . . . . 71.03 110.563 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.86 76.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.303 -0.408 . . . . 74.52 110.27 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -58.85 -61.61 2.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.686 -0.688 . . . . 61.44 110.486 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -63.62 -29.11 70.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.856 -0.611 . . . . 74.3 111.103 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.61 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 60.1 111.351 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.78 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -108.17 -0.97 20.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.673 -0.24 . . . . 75.14 111.445 -178.29 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.68 137.33 44.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 110.203 -0.295 . . . . 72.23 110.203 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -141.99 160.11 40.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.342 -0.39 . . . . 52.0 110.296 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.45 -29.66 70.91 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.889 -0.596 . . . . 75.14 111.076 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.46 -28.57 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 64.2 110.669 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 49' ' ' ILE . 70.5 mt -86.82 -21.08 26.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 72.43 110.795 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 46.1 t-20 -60.9 -27.55 68.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.637 -0.71 . . . . 74.11 110.833 -177.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -72.1 -16.37 62.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 72.34 112.051 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 87.0 m-85 -86.85 -34.96 19.3 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.886 0.699 . . . . 74.13 112.886 -172.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.498 ' CG ' HH21 ' A' ' 99' ' ' ARG . 1.9 m-20 72.93 0.32 3.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.285 0.634 . . . . 73.34 111.823 -175.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 73.9 m-85 -137.44 122.26 18.8 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.338 -0.616 . . . . 74.25 109.338 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 43' ' ' LEU . 42.5 mm -120.68 119.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.669 0.271 . . . . 71.33 110.434 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 96' ' ' VAL . 61.9 t -113.8 137.15 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 65.41 109.505 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.14 123.85 4.56 Favored Glycine 0 N--CA 1.454 -0.155 0 N-CA-C 111.482 -0.647 . . . . 71.23 111.482 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.37 151.17 37.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.984 0.421 . . . . 64.32 110.46 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -108.47 32.09 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.592 -0.731 . . . . 64.03 109.649 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.08 -57.24 11.57 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.975 -0.557 . . . . 50.24 113.238 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -92.73 21.01 5.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.894 0.378 . . . . 73.32 110.663 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.03 15.59 74.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.0 -0.619 . . . . 54.23 111.822 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -125.62 114.48 18.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.106 -0.702 . . . . 73.13 109.106 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.55 109.22 5.35 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 110.027 -0.36 . . . . 71.45 110.027 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -119.06 138.1 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 74.44 109.932 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.47 112.18 24.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.011 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.4 tmtm? -104.02 128.05 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.552 -0.907 . . . . 72.13 108.552 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.86 147.17 18.48 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.739 -0.743 . . . . 73.45 112.443 -177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.7 m-85 -134.64 163.73 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.829 -0.434 . . . . 74.03 109.829 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -104.16 159.05 16.01 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.328 -0.619 . . . . 74.54 109.328 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.79 123.95 17.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.742 -0.466 . . . . 73.32 109.742 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 30.4 t70 -107.44 -78.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.33 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -84.34 71.3 10.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.484 0.659 . . . . 75.22 109.257 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -82.92 -8.37 59.58 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.001 -0.999 . . . . 71.12 109.81 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -77.55 133.06 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.542 -0.754 . . . . 64.35 109.382 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -65.2 90.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 72.41 110.547 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.66 79.77 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.431 -0.952 . . . . 72.55 108.431 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 m 73.48 -48.74 0.68 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.336 -0.847 . . . . 71.45 110.627 -172.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -110.86 167.12 10.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.448 -0.342 . . . . 72.02 110.137 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.88 -4.49 5.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.509 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.585 HG22 ' HD2' ' A' ' 98' ' ' LYS . 35.7 p -128.1 25.75 5.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.054 -0.521 . . . . 74.23 110.651 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -77.84 130.83 37.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.365 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.554 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 67.1 mt -128.13 111.85 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.176 -0.676 . . . . 65.43 109.176 176.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -58.8 -41.55 87.01 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.73 0.3 . . . . 75.21 111.409 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -71.59 -12.17 61.22 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.769 -0.196 . . . . 74.5 111.238 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 56.4 tp -66.04 -49.63 67.03 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.258 -0.645 . . . . 72.12 109.258 174.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.51 -46.93 66.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.265 -0.88 . . . . 61.45 109.983 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.95 -43.37 81.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.218 -0.901 . . . . 71.34 111.073 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -70.65 -48.25 55.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.007 -0.542 . . . . 71.22 110.722 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.95 -36.73 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.556 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -57.58 -31.5 66.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.779 -0.646 . . . . 73.25 110.998 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.22 -31.73 73.04 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.212 -0.449 . . . . 62.32 111.134 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -107.56 -64.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.521 0.677 . . . . 74.52 111.199 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 1.9 t -108.12 114.82 29.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.277 -0.874 . . . . 71.32 111.109 -168.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.95 -35.81 6.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.077 0.465 . . . . 74.12 110.209 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -101.95 9.2 40.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.962 -0.563 . . . . 75.33 111.36 -172.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.33 123.82 0.92 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 121.044 -0.598 . . . . 42.1 112.628 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.2 p -158.93 -167.29 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.929 -0.397 . . . . 63.05 109.929 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' PHE . . . -70.74 114.61 8.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.221 0.452 . . . . 71.53 112.221 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -166.36 167.46 15.85 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.741 -0.663 . . . . 74.45 109.603 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.82 163.58 39.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.622 0.231 . . . . 72.41 111.622 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.517 HG13 HG22 ' A' ' 50' ' ' VAL . 41.7 t -137.41 131.69 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.919 -0.582 . . . . 72.52 110.151 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -121.29 142.86 49.55 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.688 0.395 . . . . 72.42 111.053 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.585 ' HD2' HG22 ' A' ' 75' ' ' THR . 54.6 tttp -118.73 140.62 49.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.464 -0.569 . . . . 74.15 109.464 173.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 33.2 ttp180 -86.06 122.36 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 75.41 110.674 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 28.4 mm -65.74 -25.1 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 51.12 111.293 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 62.7 ttt180 76.13 -33.54 0.22 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.157 0.583 . . . . 71.41 111.362 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -74.98 26.75 0.09 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.988 0.515 . . . . 61.33 112.101 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.4 tm? -56.3 120.65 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.427 -0.583 . . . . 64.4 109.427 175.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -128.88 109.23 11.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.567 -0.531 . . . . 75.24 109.567 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -157.66 121.45 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.969 -0.752 . . . . 74.32 108.969 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -58.73 91.63 0.01 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.721 0.296 . . . . 54.12 110.592 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -67.35 147.2 53.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.477 -0.564 . . . . 71.34 109.477 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -52.29 131.42 32.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.013 0.435 . . . . 63.43 111.401 -175.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -68.86 147.73 51.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.492 -0.776 . . . . 75.42 111.277 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 117.957 -1.021 . . . . 73.32 109.462 176.794 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.596 0.236 . . . . 75.34 110.369 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -136.04 177.47 6.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.664 -0.495 . . . . 64.34 109.664 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.26 145.79 4.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.883 -0.675 . . . . 64.43 112.727 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.39 22.87 7.31 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.436 0.636 . . . . 71.35 110.089 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -114.61 36.87 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.575 -0.739 . . . . 72.52 109.381 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -38.79 88.09 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.122 -0.945 . . . . 61.12 111.081 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 54.33 84.64 0.06 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.555 -0.748 . . . . 74.44 111.26 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 5.3 tpm_? 59.08 -85.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.041 -0.982 . . . . 74.43 111.498 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.9 55.61 24.88 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 110.905 -0.878 . . . . 71.11 110.905 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.15 -64.4 0.85 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 72.23 110.008 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD12 HD23 ' A' ' 22' ' ' LEU . 53.8 mt -117.04 84.93 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.618 -0.882 . . . . 74.41 108.618 174.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.62 131.95 36.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.6 -1.182 . . . . 64.31 110.499 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 16.7 mm -117.16 100.37 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.447 -0.575 . . . . 73.24 109.447 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.34 111.58 23.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.085 -0.339 . . . . 74.33 110.085 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.7 tt -150.62 137.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 54.44 110.66 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 54.23 46.83 24.43 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.895 -0.593 . . . . 73.5 111.458 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 62.82 28.66 16.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.813 -0.63 . . . . 62.41 111.736 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 135.15 38.62 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.599 -0.273 . . . . 64.32 110.955 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -95.94 116.56 29.11 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.565 -0.532 . . . . 45.53 109.565 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 43.1 m-85 -107.38 160.4 15.66 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.397 -0.365 . . . . 71.12 110.29 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 100' ' ' ILE . 13.8 pt-20 -124.6 133.19 53.35 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.543 -0.54 . . . . 63.14 109.543 172.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 HD12 ' A' ' 11' ' ' ILE . 53.6 tp -77.31 103.47 7.26 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.089 -0.708 . . . . 65.44 109.089 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG11 HG21 ' A' ' 75' ' ' THR . 12.9 m -90.08 -25.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 74.23 111.51 -173.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -154.8 132.28 11.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.301 . . . . 72.33 110.336 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.471 ' HB2' HD21 ' A' ' 22' ' ' LEU . 39.9 t30 -127.85 108.91 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.221 -0.659 . . . . 61.24 109.221 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 56.5 t80 -95.3 113.39 25.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 73.12 110.411 -173.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 59.05 34.75 23.65 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.003 -0.544 . . . . 65.21 111.098 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 25' ' ' ASN . 0.6 OUTLIER 58.78 30.22 19.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.13 -0.486 . . . . 44.4 111.119 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -19.8 60.7 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.197 -0.525 . . . . 64.35 112.378 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.12 136.67 42.95 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.014 0.435 . . . . 72.32 111.117 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -151.58 121.78 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.377 -0.829 . . . . 64.24 108.809 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.45 -51.67 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 75.02 111.902 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 11.7 pt-20 -64.92 -32.42 74.12 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 121.179 -0.208 . . . . 75.34 111.361 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.32 67.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.849 0.357 . . . . 62.13 110.39 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.1 -58.23 9.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 55.15 110.817 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 33' ' ' GLU . 13.8 ptmm? -57.83 -31.06 66.25 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 62.1 111.608 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.09 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.393 -0.367 . . . . 50.42 111.341 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HB2' HD13 ' A' ' 60' ' ' LEU . 30.5 mmt180 -106.51 -3.49 20.81 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.901 0.334 . . . . 74.03 111.901 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -76.74 148.71 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.136 -0.32 . . . . 51.13 110.136 176.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.3 t -149.05 155.47 40.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.623 -0.51 . . . . 74.04 109.623 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.03 -23.86 67.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.427 -0.351 . . . . 75.2 111.52 -176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 tp -61.36 -28.42 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 121.134 0.493 . . . . 74.11 110.349 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.6 mt -83.54 -18.64 37.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.927 -0.579 . . . . 75.24 111.566 -176.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.19 -34.61 78.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.418 -0.356 . . . . 53.31 111.57 -173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -63.79 -15.76 59.54 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.116 -0.493 . . . . 70.25 112.182 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.8 m-85 -81.7 -22.87 37.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.601 0.239 . . . . 74.14 111.204 -175.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.38 0.2 1.67 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.292 0.637 . . . . 74.21 112.007 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -145.39 117.07 8.13 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.935 0.398 . . . . 72.21 110.413 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.7 mm -115.41 117.42 55.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.621 . . . . 73.04 110.14 -178.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.9 t -119.16 116.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.035 -0.357 . . . . 55.14 110.035 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -104.87 129.75 9.96 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.17 -0.772 . . . . 51.42 111.17 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -108.99 154.02 22.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.287 0.565 . . . . 72.02 111.461 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.4 ' CE2' HD23 ' A' ' 58' ' ' LEU . 89.8 m95 -117.84 31.46 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.989 -1.005 . . . . 75.03 109.158 169.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.513 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . -49.5 -41.11 32.79 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.738 -0.665 . . . . 70.04 114.177 -170.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.458 ' H ' ' HG2' ' A' ' 57' ' ' GLN . 66.7 t80 -123.47 19.94 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.476 0.655 . . . . 73.42 109.528 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.84 46.9 21.67 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.264 -1.134 . . . . 41.31 110.264 -169.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 3.6 pt20 -133.46 93.86 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.994 -0.603 . . . . 74.42 109.861 -173.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' CE2' ' A' ' 53' ' ' TRP . 2.1 tm? -70.08 91.77 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 71.4 110.022 -175.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 40.3 mtp180 -120.71 129.87 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 71.11 110.196 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.4 mp -97.84 112.21 24.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.846 0.355 . . . . 65.31 110.126 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.9 tmtt? -107.13 130.4 54.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.133 -0.691 . . . . 74.3 109.133 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.552 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.63 139.75 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.242 -0.504 . . . . 72.3 112.086 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.9 m-85 -129.0 162.08 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.327 -0.249 . . . . 51.44 110.327 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -103.04 165.07 11.24 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.656 -0.498 . . . . 71.1 109.656 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HB2' ' HB3' ' A' ' 68' ' ' ASN . 6.6 p-10 -71.27 122.67 20.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 74.41 110.829 -176.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -96.74 -55.79 2.78 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.09 -0.707 . . . . 71.41 109.09 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -120.19 76.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.696 . . . . 73.15 109.761 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.637 ' HB3' ' HB2' ' A' ' 65' ' ' ASP . 4.0 p30 -87.44 -12.49 45.98 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.394 -0.367 . . . . 75.45 110.027 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 72' ' ' THR . 59.3 tt0 -49.27 114.63 1.06 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.62 -0.718 . . . . 71.42 110.113 -179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HB3' ' HZ2' ' A' ' 70' ' ' LYS . 1.8 mmmp? -56.6 -11.84 1.51 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.087 0.403 . . . . 55.22 112.087 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' H ' ' HG2' ' A' ' 69' ' ' GLN . . . -75.27 -10.82 59.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.673 0.249 . . . . 54.33 111.673 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 69' ' ' GLN . 6.3 t -93.47 -164.27 1.15 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.372 -0.603 . . . . 64.33 109.372 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 75' ' ' THR . 36.4 t80 -77.86 47.56 0.64 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.686 0.279 . . . . 63.25 110.92 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 63.34 -73.18 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.078 0.551 . . . . 75.34 110.97 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.61 HG21 HG11 ' A' ' 23' ' ' VAL . 41.9 p -103.93 112.99 26.21 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.099 -0.5 . . . . 75.2 110.952 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 76' ' ' LYS . 26.7 mmtm -147.02 119.81 8.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.28 0.562 . . . . 71.11 110.871 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 80' ' ' LEU . 58.7 mt -119.95 128.41 75.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.585 -0.734 . . . . 75.12 109.411 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -76.57 -49.65 15.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 75.31 110.439 -174.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -64.17 -24.93 67.86 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.042 -0.527 . . . . 65.41 110.752 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' H ' HG22 ' A' ' 77' ' ' ILE . 40.5 tp -60.38 -34.92 74.58 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.464 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.16 -45.84 91.69 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.237 0.542 . . . . 72.22 109.901 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.0 mm-40 -65.55 -42.34 91.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.372 -0.831 . . . . 70.22 110.108 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -61.19 -55.76 28.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.17 -0.923 . . . . 75.2 111.11 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.78 -37.16 70.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.333 -0.394 . . . . 74.51 110.787 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -61.01 -22.59 64.69 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.96 -0.564 . . . . 75.35 111.42 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 17.7 mm-40 -81.11 -25.38 37.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.495 -0.321 . . . . 64.1 111.221 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.415 ' HB3' ' HA3' ' A' ' 54' ' ' GLY . 99.1 m-85 -107.86 -62.32 1.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.859 0.362 . . . . 75.15 111.616 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 61.3 m -89.9 100.61 13.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.156 -0.474 . . . . 60.53 112.033 -170.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -93.79 -43.77 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.41 -74.1 0.13 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.657 -0.701 . . . . 74.53 110.062 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 81.71 0.37 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.789 -0.525 . . . . 74.32 111.789 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.513 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 48.8 t -158.55 168.31 27.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.634 0.254 . . . . 74.1 110.758 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -155.37 154.7 32.39 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.815 -0.439 . . . . 63.04 109.815 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -165.89 170.73 13.46 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 110.202 -0.295 . . . . 73.14 110.202 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -146.26 145.88 30.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 72.1 110.478 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 t -123.16 121.3 62.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.344 -0.389 . . . . 61.01 110.475 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.449 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -111.7 139.74 46.9 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.71 0.404 . . . . 73.42 110.446 176.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -111.53 122.13 47.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 74.45 109.882 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 100' ' ' ILE . 2.7 tmm_? -81.5 129.39 34.64 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.232 -0.655 . . . . 74.42 109.232 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 102' ' ' LYS . 8.8 mm -105.58 161.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.145 0.497 . . . . 73.13 110.974 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.0 ptt180 -77.39 33.96 0.16 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.611 -0.722 . . . . 62.01 110.795 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 100' ' ' ILE . 42.2 mtmt -129.52 156.79 43.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.59 0.356 . . . . 54.31 110.633 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -143.1 108.03 4.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.155 -0.683 . . . . 62.42 109.155 168.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 61.36 34.94 18.14 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.259 -0.882 . . . . 61.52 111.115 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.422 ' HB2' ' HD2' ' A' ' 102' ' ' LYS . 41.1 m80 -79.99 -31.39 39.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.176 -1.046 . . . . 72.33 108.176 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -81.78 78.34 8.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.921 -1.14 . . . . 70.01 107.921 167.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -44.8 134.68 5.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.417 -0.81 . . . . 71.04 111.574 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -58.48 135.05 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.539 -0.755 . . . . 62.14 110.943 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -77.38 -6.15 52.31 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.209 0.528 . . . . 74.32 110.237 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.248 0.994 0 N-CA-C 108.622 -0.881 . . . . 55.3 108.622 174.595 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.793 0.33 . . . . 72.51 110.652 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.36 -57.49 3.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.312 -0.403 . . . . 73.54 110.187 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.0 126.16 0.81 Allowed Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.357 -0.697 . . . . 61.13 111.357 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.7 tpp -127.15 110.07 12.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.795 0.298 . . . . 63.42 111.168 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m 53.99 27.42 7.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.942 -0.572 . . . . 75.54 112.017 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.14 9.16 9.13 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.463 -0.335 . . . . 73.43 110.934 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.52 169.65 17.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.58 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -134.13 179.18 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 61.24 110.422 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -132.27 11.13 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.311 -0.715 . . . . 74.21 111.311 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 11' ' ' ILE . 43.0 tt0 -153.25 -72.56 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.937 -0.394 . . . . 71.0 109.937 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' ' 10' ' ' GLU . 58.5 mt -106.47 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.368 0.604 . . . . 73.12 109.753 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptp -92.58 137.83 32.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.405 -0.816 . . . . 64.43 110.321 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 43.0 mm -120.76 102.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 72.51 109.682 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.78 123.76 50.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.15 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.566 HG12 ' HG2' ' A' ' 16' ' ' GLN . 6.3 tt -149.37 136.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.765 -0.652 . . . . 63.4 109.653 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.8 mm100 61.5 22.47 12.91 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.073 0.233 . . . . 74.05 110.942 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.38 32.14 9.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.129 -0.487 . . . . 64.5 110.553 -173.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.57 150.46 27.46 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.474 -0.565 . . . . 61.22 109.474 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 30.4 tt0 -111.53 114.13 27.0 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.165 0.291 . . . . 64.11 111.211 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 93.9 m-85 -131.15 166.33 21.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.3 0.24 . . . . 72.24 110.451 178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' ILE . 10.3 pt-20 -139.43 161.03 38.47 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.324 -0.621 . . . . 73.22 109.324 169.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 25' ' ' ASN . 61.0 tp -89.85 103.19 15.87 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.472 -0.566 . . . . 63.45 109.472 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.25 -17.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.569 -0.287 . . . . 52.1 111.758 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 15.5 t-80 -155.33 133.47 11.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 63.21 110.515 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.8 t30 -139.88 135.55 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.597 -0.52 . . . . 71.42 109.597 176.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -131.93 133.29 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.143 -0.317 . . . . 73.23 110.143 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 63.26 16.19 9.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.885 0.741 . . . . 61.14 110.293 178.217 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.7 m-20 55.62 34.99 24.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.614 -0.721 . . . . 53.5 110.581 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.04 -14.74 73.79 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.287 -0.869 . . . . 73.21 112.284 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.12 129.14 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 74.52 111.105 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.4 t-20 -153.65 126.87 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.571 -0.9 . . . . 72.14 108.571 172.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -57.93 -43.8 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.271 0.357 . . . . 54.32 111.212 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.0 pt-20 -59.24 -41.79 89.56 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.486 -0.324 . . . . 73.32 110.368 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.98 97.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.221 0.534 . . . . 71.02 110.396 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -57.39 7.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 71.1 110.927 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 17.5 ptmt -70.91 -19.21 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 55.12 112.023 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.14 53.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.707 0.289 . . . . 50.3 111.174 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -97.29 -13.25 22.08 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.493 -0.321 . . . . 63.33 110.442 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.74 139.34 56.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.189 0.519 . . . . 72.31 112.003 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -136.2 146.43 46.81 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.052 -0.721 . . . . 54.44 109.052 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.28 -35.31 73.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.696 0.284 . . . . 72.34 111.503 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.05 -27.56 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.028 0.442 . . . . 63.12 110.867 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.44 -19.53 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 74.14 111.057 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -38.18 80.19 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.166 -0.47 . . . . 75.21 111.088 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -64.74 -21.85 66.85 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 52.01 112.384 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 94.4 m-85 -70.21 -28.71 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 72.41 110.899 -176.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 67.0 1.3 2.27 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.771 -0.649 . . . . 52.33 111.657 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 77' ' ' ILE . 41.3 m-85 -142.19 117.36 10.08 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.503 -0.554 . . . . 60.02 109.503 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -119.63 118.69 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 61.23 110.287 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 HG13 ' A' ' 96' ' ' VAL . 84.8 t -111.2 118.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 61.2 110.487 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.87 120.51 5.95 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.48 -0.648 . . . . 73.21 111.48 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.77 121.76 44.7 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.987 -0.375 . . . . 74.21 109.987 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -84.2 -60.59 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.058 -0.719 . . . . 73.0 109.058 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 50.29 -96.88 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.477 -0.783 . . . . 74.22 113.427 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -82.9 5.33 22.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.223 0.535 . . . . 74.04 110.957 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 4.64 59.82 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.886 -0.486 . . . . 71.23 111.886 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.97 80.97 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.877 -0.416 . . . . 63.42 109.877 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.91 107.82 0.92 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 65.42 109.928 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -131.11 158.19 41.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.356 -0.838 . . . . 72.43 109.188 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.71 118.27 36.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 64.25 111.21 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -97.79 138.14 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 72.13 109.664 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.86 135.85 12.41 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.024 -0.608 . . . . 72.31 112.315 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 63.5 m-85 -132.67 174.14 10.61 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.724 -0.473 . . . . 70.01 109.724 175.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -121.02 171.34 8.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 51.5 109.181 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 107.32 0.46 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.608 -0.516 . . . . 74.1 109.608 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.69 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 15.4 t70 -88.47 -69.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.579 . . . . 62.1 110.131 -175.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 71' ' ' ALA . 74.9 mt-30 -90.51 76.56 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.306 0.574 . . . . 54.21 109.559 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -84.99 -16.3 41.31 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.298 -0.864 . . . . 74.04 110.75 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -166.6 156.17 11.34 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.777 -0.823 . . . . 72.4 108.777 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 60.6 39.96 17.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.698 -0.852 . . . . 74.51 108.698 -172.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.529 ' CB ' ' HB3' ' A' ' 67' ' ' GLN . . . -106.95 167.22 10.04 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.119 -0.946 . . . . 71.42 112.342 -169.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.7 m -74.78 -28.7 60.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 73.11 109.915 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -152.71 164.18 38.25 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.647 -0.871 . . . . 73.14 108.647 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.29 -33.99 44.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.971 0.415 . . . . 74.4 111.591 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -134.57 121.75 21.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.958 -0.565 . . . . 71.21 109.686 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -160.91 146.88 14.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.948 -0.76 . . . . 73.5 108.948 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.69 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 31.4 mt -126.09 110.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.936 -0.394 . . . . 62.33 109.936 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.8 t -65.83 -46.63 77.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.752 0.311 . . . . 60.3 110.718 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -63.81 -18.16 63.83 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.322 -0.399 . . . . 72.25 110.999 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 66.9 tp -66.83 -45.52 78.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.432 -0.349 . . . . 74.25 110.576 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.86 -43.77 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.963 -0.562 . . . . 70.31 110.158 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 23.2 mm-40 -65.73 -48.51 71.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 64.22 110.445 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.83 -56.51 18.62 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.776 -0.647 . . . . 75.13 111.244 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 88' ' ' CYS . 44.1 mm -58.29 -42.77 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 64.21 110.467 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.82 -30.1 60.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 74.4 110.764 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -79.92 -47.96 14.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.043 -0.526 . . . . 71.52 110.493 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -86.69 -81.71 0.22 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.88 -0.6 . . . . 71.21 111.037 -175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.512 ' HB3' HG23 ' A' ' 84' ' ' ILE . 37.1 t -81.26 82.36 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.21 0.529 . . . . 54.03 110.385 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -66.86 178.16 1.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 73.22 110.178 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.78 87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.037 0.446 . . . . 74.12 109.946 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.73 37.43 0.02 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.59 -0.732 . . . . 70.43 111.554 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.494 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 7.5 p -172.25 -167.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.588 -0.523 . . . . 72.14 109.588 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . . . -133.95 166.01 23.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.814 0.34 . . . . 62.33 111.529 -176.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -165.38 160.33 18.0 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.704 -0.68 . . . . 55.24 109.863 176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -144.2 153.94 42.61 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.488 -0.324 . . . . 74.22 110.684 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.513 HG13 HG22 ' A' ' 50' ' ' VAL . 32.4 t -131.31 120.68 46.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.325 -0.398 . . . . 43.4 110.567 -175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.84 148.34 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.228 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -128.66 137.82 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 71.23 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 8.5 tpt180 -69.79 126.22 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.559 -0.534 . . . . 71.22 109.559 172.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 21' ' ' GLU . 38.4 mm -77.15 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.695 -0.23 . . . . 61.03 110.469 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -145.9 -81.93 0.15 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 110.448 -0.205 . . . . 72.52 110.448 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 147.59 22.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.608 -0.269 . . . . 71.31 110.364 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -75.92 102.65 5.65 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.298 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -73.36 96.44 2.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.403 . . . . 74.23 110.044 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.88 -75.37 0.48 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.497 . . . . 72.31 109.868 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.2 m170 69.22 -53.03 0.59 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.59 0.756 . . . . 72.24 111.631 -176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -46.47 104.38 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.348 0.659 . . . . 73.21 110.769 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -78.94 36.79 0.29 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.952 0.501 . . . . 72.11 112.348 -171.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.29 92.86 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.035 -0.357 . . . . 74.04 110.035 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 119.019 -0.515 . . . . 63.11 109.944 -179.013 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.223 -0.288 . . . . 35.13 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.14 95.89 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.39 0.614 . . . . 74.05 110.845 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.07 81.64 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.461 -0.656 . . . . 74.43 111.461 176.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.507 ' SD ' ' NZ ' ' A' ' 102' ' ' LYS . 71.7 mtm -58.26 131.48 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 74.54 111.516 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -116.56 92.1 3.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.667 -0.864 . . . . 71.44 108.667 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -93.02 -177.83 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 61.32 110.882 -175.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.12 141.11 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 72.43 110.915 -173.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 8' ' ' ARG . 50.4 mtm180 -72.42 -75.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.454 -0.573 . . . . 54.32 109.454 171.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.14 177.56 38.3 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.947 -1.12 . . . . 70.11 113.954 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -161.47 -73.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.306 -1.368 . . . . 63.13 107.306 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -133.36 81.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.832 -1.174 . . . . 62.24 107.832 167.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -102.91 138.83 39.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.08 -0.964 . . . . 73.44 110.592 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 97' ' ' LEU . 19.1 mm -118.1 99.83 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 73.14 109.637 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 14' ' ' LEU . 7.2 mp -90.2 110.65 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.22 109.682 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.7 tt -143.22 135.99 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 74.25 109.952 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 15' ' ' ILE . 71.4 mm-40 57.88 29.22 17.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 70.31 110.528 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 64.87 25.04 12.81 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.607 -0.724 . . . . 74.22 110.938 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.87 128.17 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.32 -0.622 . . . . 62.25 109.32 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.42 136.64 35.54 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.683 0.278 . . . . 73.31 110.281 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 84.2 m-85 -130.38 134.35 47.08 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.348 -0.612 . . . . 71.13 109.348 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.59 136.07 37.62 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.76 0.315 . . . . 71.12 110.191 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.9 104.84 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.318 -0.623 . . . . 73.4 109.318 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -96.44 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.808 -175.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -158.08 132.53 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.034 -0.358 . . . . 75.42 110.034 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -142.93 137.91 29.77 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.513 -0.551 . . . . 75.53 109.513 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 50.4 t80 -128.1 112.28 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.046 -0.353 . . . . 75.0 110.046 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.4 mptp? 56.88 34.17 24.35 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.103 0.478 . . . . 65.31 111.174 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 60.03 39.29 20.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.405 -0.816 . . . . 71.11 110.802 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.3 -28.41 61.74 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.324 -0.71 . . . . 51.51 111.324 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -64.42 136.16 56.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.125 0.488 . . . . 72.52 110.992 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -153.88 116.5 4.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.202 -1.036 . . . . 73.43 108.202 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.4 tt0 -65.17 -51.66 59.76 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.483 0.182 . . . . 72.23 111.349 -171.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.82 -34.78 76.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.49 -0.323 . . . . 61.01 110.704 -174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.85 57.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.472 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.04 -59.14 5.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 62.12 111.063 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.8 ptmt -63.92 -24.2 67.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 74.25 111.325 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.74 35.1 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.279 -0.419 . . . . 64.31 111.448 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.6 mmp_? -114.08 -2.04 13.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.57 -0.286 . . . . 70.04 111.128 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -67.22 114.4 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.984 -0.376 . . . . 71.35 109.984 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -89.15 134.02 34.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.093 -0.503 . . . . 63.53 109.837 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.88 -30.6 67.88 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 122.601 0.36 . . . . 74.31 110.886 -177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.14 -28.19 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.339 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 49' ' ' ILE . 94.8 mt -71.18 -15.26 62.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.1 -0.5 . . . . 62.5 111.705 -175.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.39 -23.17 64.12 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.132 0.492 . . . . 73.31 110.823 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.36 -36.84 81.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.845 -0.616 . . . . 72.45 110.963 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 75.5 m-85 -84.56 -38.13 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 74.35 111.718 -169.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 99' ' ' ARG . 22.4 m-20 67.95 1.37 2.7 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.232 -0.44 . . . . 53.13 111.966 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 69.2 m-85 -129.59 115.66 17.73 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.533 -0.914 . . . . 75.1 108.533 171.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 43' ' ' LEU . 27.2 mm -114.76 126.63 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.686 -172.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.497 HG21 HD13 ' A' ' 80' ' ' LEU . 47.2 t -118.41 124.87 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 64.33 109.555 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -116.58 120.26 4.79 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.819 -0.705 . . . . 54.43 111.907 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.42 139.79 48.62 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.926 -0.398 . . . . 75.31 109.926 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.99 -88.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.072 -0.344 . . . . 74.32 110.072 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.07 -74.49 0.08 OUTLIER Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.305 -0.474 . . . . 75.31 112.36 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -86.65 178.07 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.023 -0.732 . . . . 63.45 109.023 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.28 28.04 1.0 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.148 -0.549 . . . . 51.14 113.779 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -144.45 143.14 30.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.559 -0.534 . . . . 70.51 109.559 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.49 113.31 23.94 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.313 -0.625 . . . . 74.53 109.313 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 20.6 tpp85 -94.48 128.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.986 -0.376 . . . . 73.41 109.986 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.0 115.37 28.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.935 0.398 . . . . 70.12 110.256 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -110.73 138.69 46.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.589 -0.732 . . . . 73.22 109.584 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.78 141.81 15.37 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.329 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 80.5 m-85 -135.94 168.04 20.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.783 0.325 . . . . 73.45 110.747 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.49 156.46 20.84 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.282 -0.636 . . . . 54.22 109.282 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.69 153.67 16.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 110.244 -0.28 . . . . 70.04 110.244 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' ' 77' ' ' ILE . 7.8 t70 -137.5 -56.78 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.771 0.32 . . . . 73.31 110.632 -176.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.85 -39.47 63.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.246 -0.433 . . . . 73.02 110.341 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 63.69 179.86 0.16 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.598 -0.728 . . . . 61.44 112.403 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.57 87.23 6.26 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.388 -0.824 . . . . 61.3 109.638 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -141.49 -45.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 62.44 110.02 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.76 -173.85 2.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.567 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -69.22 -18.24 63.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.886 0.375 . . . . 73.03 110.371 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -104.76 123.84 48.36 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.863 -0.608 . . . . 72.41 109.468 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -108.64 -57.08 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.698 . . . . 73.42 110.404 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.3 p -79.24 72.62 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.645 -0.707 . . . . 43.21 111.195 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -150.41 132.24 15.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.131 -0.692 . . . . 73.04 109.131 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.451 HG22 HG22 ' A' ' 79' ' ' THR . 64.7 mt -126.84 122.41 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.697 -0.483 . . . . 74.41 109.697 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -51.38 -49.79 60.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.332 -0.395 . . . . 64.05 111.631 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.451 HG22 HG22 ' A' ' 77' ' ' ILE . 14.4 t -69.22 -21.3 63.95 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.656 -0.247 . . . . 71.21 111.428 -177.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 50' ' ' VAL . 50.6 tp -69.41 -42.42 75.09 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 109.845 -0.428 . . . . 73.14 109.845 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.57 -43.68 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 71.24 109.912 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 29.5 mm-40 -61.27 -49.7 75.99 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.681 -0.691 . . . . 74.41 109.975 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.77 -54.7 30.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.259 -0.882 . . . . 72.34 111.713 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.44 -39.6 79.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.898 0.38 . . . . 61.52 110.325 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 50.2 t80 -64.6 -39.23 93.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.555 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.9 mt-10 -61.81 -56.43 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 52.15 111.419 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -96.82 -28.47 14.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.204 0.816 . . . . 72.53 113.204 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 34.4 t -135.18 50.97 2.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.17 0.51 . . . . 73.34 111.552 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 51.9 t30 -69.39 -34.19 74.15 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.93 -0.577 . . . . 72.25 110.429 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.73 -71.19 0.16 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.722 -0.672 . . . . 74.13 110.412 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.71 94.36 0.1 Allowed Glycine 0 C--O 1.238 0.36 0 C-N-CA 121.139 -0.553 . . . . 75.31 111.903 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 23.0 p -135.78 159.81 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.53 -0.544 . . . . 73.53 109.53 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.0 134.97 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.638 0.256 . . . . 71.22 111.313 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -151.44 174.7 13.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.922 -0.581 . . . . 54.31 110.025 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -154.55 151.8 29.31 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.593 -0.276 . . . . 74.43 111.037 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.2 128.38 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 122.468 0.307 . . . . 75.01 110.595 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 20' ' ' PHE . 11.2 mp -111.6 146.48 37.32 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.787 0.435 . . . . 42.52 110.787 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -118.64 138.01 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 72.42 109.984 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 12.9 tpt180 -66.58 138.2 57.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.176 0.436 . . . . 75.41 112.176 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.0 mm -98.75 142.26 15.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.659 -0.7 . . . . 72.35 109.196 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -60.29 -48.32 82.22 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.619 0.247 . . . . 71.44 111.231 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' NZ ' ' SD ' ' A' ' 4' ' ' MET . 50.4 mtmt -125.1 176.11 6.92 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.555 -0.293 . . . . 61.3 110.659 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.31 155.34 19.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.123 0.487 . . . . 61.22 112.114 -175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.75 154.04 40.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.186 -0.915 . . . . 74.41 109.076 173.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 21.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.557 0.218 . . . . 75.53 111.32 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -66.88 -6.23 15.59 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.796 0.295 . . . . 74.23 111.796 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -68.47 -8.01 37.15 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.04 0.448 . . . . 71.22 110.115 172.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -95.08 117.05 29.52 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.772 -0.825 . . . . 74.41 108.772 171.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -56.31 120.09 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.332 0.395 . . . . 74.54 111.268 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.828 -0.606 . . . . 61.14 110.007 177.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.51 0 N-CA-C 111.604 -0.598 . . . . 62.05 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.1 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 63.12 108.596 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 22' ' ' LEU . 54.7 mt -140.64 82.42 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.195 -1.039 . . . . 43.32 108.195 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.555 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.36 122.32 35.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.289 -0.869 . . . . 72.32 110.532 -176.456 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.5 HG13 HD21 ' A' ' 97' ' ' LEU . 17.7 mm -107.7 108.61 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.763 -0.653 . . . . 75.34 110.098 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.86 115.31 30.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.03 -0.359 . . . . 75.51 110.03 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -141.26 142.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.272 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 53.95 33.42 17.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.8 0.333 . . . . 65.42 110.861 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.523 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 2.5 m-20 64.26 27.47 13.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.731 -0.668 . . . . 61.31 111.045 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.66 132.02 56.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.947 -0.57 . . . . 60.41 109.662 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -94.17 123.98 37.9 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.873 -0.417 . . . . 71.3 109.873 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.52 160.45 26.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.718 0.294 . . . . 75.25 110.451 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -133.82 129.75 36.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.088 -0.505 . . . . 75.5 109.675 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 11' ' ' ILE . 64.8 tp -74.17 101.7 4.04 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.474 -0.565 . . . . 70.44 109.474 175.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -87.89 -36.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 74.32 111.439 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.1 133.77 30.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.34 -0.244 . . . . 64.11 110.34 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -143.57 128.8 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 75.32 109.759 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -124.66 133.39 53.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 72.51 110.313 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 64.53 20.6 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.314 -0.857 . . . . 61.44 110.26 173.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 57.32 37.12 27.97 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.535 -0.757 . . . . 73.31 110.42 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.99 -16.01 70.09 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.571 -0.74 . . . . 73.44 112.26 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.95 97.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 71.14 111.331 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -107.69 112.36 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.693 -0.854 . . . . 53.22 108.693 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.4 -51.63 68.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.267 0.469 . . . . 53.01 112.267 -170.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.88 -40.16 91.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.976 -0.29 . . . . 55.34 110.634 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.68 85.16 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.352 -0.386 . . . . 73.14 110.257 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.43 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 59.9 t80 -55.98 -57.24 12.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.147 -0.479 . . . . 71.41 110.825 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HB2' HD12 ' A' ' 15' ' ' ILE . 14.2 ptmm? -67.99 -19.77 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 62.1 111.329 -174.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.21 34.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 75.33 110.535 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 38' ' ' ARG . 12.1 mmm180 -90.73 -14.47 32.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 65.41 110.75 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -64.22 155.07 33.01 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.86 -0.609 . . . . 73.54 111.232 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -149.33 148.43 29.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.168 -0.679 . . . . 73.01 109.168 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.28 -37.43 74.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.704 0.402 . . . . 64.5 112.044 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.09 -24.78 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.065 0.459 . . . . 75.35 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' HD12 ' A' ' 49' ' ' ILE . 89.2 mt -71.14 -27.41 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 73.52 111.387 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -57.91 -21.51 43.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.175 0.512 . . . . 70.03 110.62 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 74.02 112.091 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.3 -24.94 57.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.257 0.836 . . . . 74.12 113.257 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 22.5 t70 72.41 -0.11 3.4 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.197 0.522 . . . . 75.42 110.744 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -149.35 119.12 7.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.998 -0.547 . . . . 71.24 109.945 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.6 mm -112.81 114.53 47.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.828 0.346 . . . . 74.31 110.082 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.5 t -101.96 127.43 55.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.623 -0.51 . . . . 64.11 109.623 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -118.38 120.05 4.58 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.873 -0.68 . . . . 63.01 111.474 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.11 150.81 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.844 0.354 . . . . 74.1 110.06 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -97.37 27.05 4.42 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.017 -0.538 . . . . 70.45 110.367 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -66.75 135.72 33.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.23 -0.748 . . . . 30.51 111.23 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 61.7 t80 70.66 11.5 7.24 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.335 0.588 . . . . 61.33 110.058 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 -49.59 4.14 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.036 -0.529 . . . . 61.3 112.622 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.78 116.23 15.26 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.959 -0.386 . . . . 71.54 109.959 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 59' ' ' ARG . 4.8 tt -55.49 123.42 13.9 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.48 0.487 . . . . 70.01 110.179 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.563 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 18.6 mmm180 -107.39 129.12 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.51 109.839 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.08 102.52 12.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.541 -0.911 . . . . 50.14 108.541 168.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -114.77 126.77 55.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.162 -0.681 . . . . 75.15 109.162 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.02 146.23 18.04 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.013 -0.613 . . . . 60.1 112.648 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -124.58 169.46 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.223 -0.658 . . . . 74.3 109.223 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -103.41 163.14 12.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.678 -0.49 . . . . 64.54 109.678 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.28 109.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.679 0.752 . . . . 71.41 111.359 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 77' ' ' ILE . 13.7 t70 . . . . . 0 C--O 1.236 0.359 0 CA-C-N 114.963 -1.017 . . . . 74.43 110.913 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.949 0.722 . . . . 55.24 112.949 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -90.1 129.94 36.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.121 0.486 . . . . 74.15 110.978 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 66' ' ' ASP . 44.3 mt -114.88 107.47 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.587 -0.894 . . . . 65.12 108.587 173.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -64.29 -33.26 75.43 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.704 0.288 . . . . 51.01 111.721 -172.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -77.68 -11.21 59.85 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.101 0.477 . . . . 70.24 111.111 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 54.2 tp -69.59 -42.13 74.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.496 -176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.57 -49.88 61.2 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.976 -0.557 . . . . 70.24 111.438 -175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.92 -34.77 78.5 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.773 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.64 -53.54 54.87 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.014 -0.539 . . . . 74.31 110.479 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.419 HG23 ' HB3' ' A' ' 88' ' ' CYS . 42.1 mm -57.43 -41.28 78.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.803 -0.635 . . . . 74.51 110.436 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.92 -35.23 74.45 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.631 . . . . 73.14 111.082 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.76 -37.2 79.19 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.281 -0.418 . . . . 75.3 111.16 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.03 -75.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 73.31 111.015 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.419 ' HB3' HG23 ' A' ' 84' ' ' ILE . 34.3 t -88.24 71.29 9.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.35 0.595 . . . . 65.24 110.316 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.67 170.54 16.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.684 -0.689 . . . . 63.43 109.562 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -43.92 121.21 2.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.846 0.459 . . . . 64.01 111.068 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.69 51.5 1.19 Allowed Glycine 0 C--N 1.33 0.218 0 N-CA-C 110.512 -1.035 . . . . 73.12 110.512 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 93' ' ' ALA . 32.7 t -165.25 -174.21 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.204 -0.665 . . . . 24.21 109.204 -173.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.579 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -144.02 143.64 31.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.55 -0.167 . . . . 71.11 110.55 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -157.8 165.72 34.59 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.989 0.423 . . . . 74.14 110.444 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.93 155.11 38.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 70.45 109.544 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.18 123.79 51.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 120.666 0.269 . . . . 64.42 110.626 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 13' ' ' ILE . 10.3 mp -108.22 136.77 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 62.43 110.239 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -107.31 131.45 54.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.782 -0.644 . . . . 73.32 109.899 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.516 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 7.6 tmm_? -85.81 126.65 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.829 -0.804 . . . . 61.12 108.829 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 102' ' ' LYS . 26.6 mm -80.23 149.16 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 54.42 111.188 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -75.9 35.71 0.13 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.877 -0.601 . . . . 63.34 111.53 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 100' ' ' ILE . 23.6 pttp -171.63 176.82 3.6 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 109.312 -0.625 . . . . 71.42 109.312 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.2 tm? . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.434 -0.58 . . . . 72.31 109.434 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.334 0 N-CA-C 112.388 -0.285 . . . . 70.34 112.388 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -73.78 -52.4 13.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.86 0.362 . . . . 54.52 110.692 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.5 mt -115.44 92.42 2.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.228 0.537 . . . . 74.14 110.039 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -101.36 131.55 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.091 -0.959 . . . . 73.23 110.183 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG13 HD21 ' A' ' 97' ' ' LEU . 22.8 mm -113.66 115.0 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 74.35 110.069 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mp -105.52 117.89 35.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.481 -0.327 . . . . 74.03 110.342 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.591 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.4 tt -150.09 132.71 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.295 -0.411 . . . . 74.34 110.784 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.591 ' HG2' HG12 ' A' ' 15' ' ' ILE . 13.8 mm100 53.44 38.05 27.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.823 0.449 . . . . 61.21 111.621 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.34 23.51 12.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.385 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.18 138.73 52.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.435 -0.58 . . . . 75.52 109.435 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 103' ' ' LEU . 23.1 tt0 -117.14 132.84 56.57 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.395 -0.594 . . . . 63.42 109.395 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -128.78 160.09 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 62.15 110.51 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -118.56 141.61 48.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.493 -0.558 . . . . 75.03 109.493 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 25' ' ' ASN . 51.2 tp -84.81 106.8 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.608 -0.516 . . . . 74.32 109.608 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -91.48 -30.25 4.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.514 -0.312 . . . . 75.1 111.561 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -145.42 133.44 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.158 -0.312 . . . . 73.13 110.158 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.7 t30 -140.71 99.73 3.69 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.67 -0.493 . . . . 64.31 109.67 -178.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB3' ' H ' ' A' ' 94' ' ' TYR . 51.0 t80 -89.91 116.46 27.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 63.51 110.346 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 57.86 33.59 23.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.911 0.484 . . . . 63.23 111.328 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.407 ' HA ' HD21 ' A' ' 25' ' ' ASN . 2.3 m-20 58.4 30.82 20.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.853 -0.612 . . . . 73.02 110.91 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.58 -14.76 55.86 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.752 -0.658 . . . . 44.11 112.647 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 82.7 t80 -68.11 112.96 5.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.927 0.394 . . . . 74.24 110.985 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.7 105.37 9.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 53.55 109.338 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.1 tt0 -58.18 -37.01 73.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 73.44 110.823 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.579 ' HG2' ' N ' ' A' ' 34' ' ' ALA . 4.1 pm0 -56.38 -46.31 80.15 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.356 -0.384 . . . . 71.54 111.297 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.579 ' N ' ' HG2' ' A' ' 33' ' ' GLU . . . -78.89 -30.35 44.88 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.487 0.661 . . . . 75.13 109.46 -177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 61.51 110.073 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 19.5 ptmt -63.87 -19.74 65.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 54.13 111.163 -176.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.06 -47.2 16.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.556 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.618 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -89.04 -3.87 58.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.992 -0.549 . . . . 65.31 111.295 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HA ' HD12 ' A' ' 60' ' ' LEU . 87.6 t80 -72.54 139.96 47.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 73.12 111.314 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 m -133.97 140.22 46.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.57 -0.741 . . . . 45.4 109.606 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -56.69 -32.48 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.724 0.41 . . . . 62.24 111.281 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.94 -24.95 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.278 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.49 -12.65 61.17 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.281 -0.418 . . . . 72.42 111.475 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.13 -24.59 67.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.588 0.233 . . . . 75.44 111.235 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.92 -26.55 64.45 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.877 0.37 . . . . 71.52 111.245 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -83.1 -30.87 27.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.941 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.33 1.74 3.72 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.333 0.653 . . . . 72.35 111.724 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -141.62 122.02 14.04 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.914 -0.402 . . . . 63.41 109.914 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.9 mm -109.22 125.64 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.621 -0.511 . . . . 73.21 109.621 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.2 t -124.16 124.86 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 72.55 110.516 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.35 128.95 8.2 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.035 -0.826 . . . . 61.52 111.035 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.37 147.32 47.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.947 0.403 . . . . 72.02 111.576 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -104.19 -8.37 19.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.591 -0.731 . . . . 71.22 110.982 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.19 -23.71 73.2 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.345 -0.702 . . . . 62.41 111.345 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -74.13 -9.18 58.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.214 0.53 . . . . 74.31 110.325 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.53 -54.41 4.14 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.812 -0.515 . . . . 64.05 111.812 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -99.54 129.96 45.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.667 -0.494 . . . . 72.54 109.667 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.78 102.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.049 0.452 . . . . 73.41 109.948 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.35 136.67 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.442 -0.577 . . . . 74.02 109.442 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 39' ' ' TYR . 86.2 mt -92.72 122.0 34.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.969 0.414 . . . . 62.21 111.015 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -109.69 173.96 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 74.14 109.05 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.95 149.63 21.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.843 -0.694 . . . . 74.33 111.884 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' A' ' 80' ' ' LEU . 90.0 m-85 -136.05 165.42 25.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.73 -0.47 . . . . 71.34 109.73 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -103.16 170.85 7.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.128 -0.323 . . . . 74.11 110.128 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.47 107.76 0.54 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.424 0.63 . . . . 74.1 110.768 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB2' HG23 ' A' ' 77' ' ' ILE . 12.4 t70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.27 -0.877 . . . . 72.53 108.793 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.233 0.194 0 N-CA-C 111.913 0.338 . . . . 43.52 111.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.82 69.71 3.19 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.101 -0.703 . . . . 51.05 109.101 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.631 HG23 ' HB2' ' A' ' 66' ' ' ASP . 55.8 mt -68.28 103.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.041 -0.982 . . . . 73.24 110.162 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 t -57.48 -49.05 77.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.31 -0.404 . . . . 62.03 111.143 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -57.93 -27.29 63.24 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.983 0.42 . . . . 72.53 111.011 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.512 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -78.36 -43.41 27.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.132 -0.485 . . . . 73.23 110.199 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.25 -41.99 76.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.362 0.601 . . . . 72.12 109.897 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 12.3 mm-40 -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.217 -0.901 . . . . 73.34 109.985 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -58.47 -34.89 71.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.502 -0.772 . . . . 74.4 110.57 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.5 mm -67.23 -44.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.052 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -58.63 -31.65 68.3 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.068 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 8.4 mm-40 -60.77 -49.36 77.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 72.21 111.216 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -90.51 -55.36 3.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 75.53 110.555 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -81.39 87.19 6.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 63.34 111.356 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -83.72 -32.59 25.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.748 -0.834 . . . . 72.24 108.748 168.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -173.41 146.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.812 -1.086 . . . . 74.23 108.607 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.37 84.03 0.1 OUTLIER Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.9 -0.667 . . . . 75.35 112.041 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p -151.08 177.77 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 62.22 110.386 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.36 124.41 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.728 -0.841 . . . . 71.41 108.728 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.455 ' H ' ' HB3' ' A' ' 26' ' ' PHE . 32.4 p90 -148.13 155.67 41.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.88 0.372 . . . . 75.11 110.573 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 43.6 p90 -133.02 148.98 52.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 75.24 110.231 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -128.64 120.55 52.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.15 -0.477 . . . . 62.1 110.156 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -106.26 143.14 34.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.729 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.59 127.02 53.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.726 -0.67 . . . . 71.02 110.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.8 107.72 3.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.246 -0.434 . . . . 72.51 110.511 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.9 mm -68.51 141.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.096 -0.705 . . . . 75.3 109.096 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -71.12 2.16 4.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.555 0.576 . . . . 62.22 112.555 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -175.05 -172.33 0.59 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.47 0.176 . . . . 63.05 110.718 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 103' ' ' LEU . 1.8 mm? . . . . . 0 C--O 1.239 0.53 0 N-CA-C 109.071 -0.714 . . . . 74.44 109.071 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.519 0 N-CA-C 109.811 -1.316 . . . . 73.32 109.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.95 -57.59 5.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.58 -0.31 . . . . 74.41 110.519 -171.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 58.5 mt -140.95 79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.953 -0.758 . . . . 74.11 108.953 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.77 108.67 14.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.512 -0.767 . . . . 72.31 111.671 -173.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.526 HG13 HD21 ' A' ' 97' ' ' LEU . 15.9 mm -101.55 99.56 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.781 . . . . 62.41 109.756 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -93.06 116.91 29.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.137 -0.32 . . . . 71.11 110.137 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.5 131.94 16.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.948 0.404 . . . . 64.02 110.933 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 49.63 62.0 2.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.684 -0.689 . . . . 72.12 112.466 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 66.84 5.64 4.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.084 -0.507 . . . . 73.34 112.127 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.06 133.26 53.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.993 0.425 . . . . 74.32 111.071 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -95.55 125.12 39.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.687 -0.688 . . . . 64.21 109.315 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.09 166.11 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.723 -0.473 . . . . 65.21 109.723 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -147.91 152.58 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.428 -0.582 . . . . 74.12 109.428 166.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.27 100.99 2.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.076 -0.511 . . . . 61.2 109.99 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.59 -8.12 10.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.318 -0.401 . . . . 53.31 111.416 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 8.0 t-80 -160.79 133.24 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 73.22 110.018 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -130.39 154.52 47.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.327 -0.62 . . . . 64.01 109.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.67 111.88 7.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.018 -0.734 . . . . 75.25 109.018 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 20.2 ttmm 64.83 20.0 12.0 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.75 0.656 . . . . 72.42 110.812 173.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.67 47.03 19.12 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.484 -0.78 . . . . 75.33 110.921 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.19 11.11 59.0 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.623 -0.717 . . . . 75.01 112.308 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -84.6 112.65 20.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.892 0.377 . . . . 74.24 110.663 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -121.86 117.68 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.024 -0.732 . . . . 53.42 109.024 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -56.59 -49.04 76.08 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.089 0.243 . . . . 73.55 110.915 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.03 -44.26 87.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 71.42 111.016 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 65.44 110.253 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.97 -59.06 5.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.503 -0.771 . . . . 75.24 110.855 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 16.6 ptmt -69.64 -34.83 74.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 72.55 111.805 -172.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.44 -28.03 56.45 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.885 0.374 . . . . 64.11 111.668 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 4.3 mmp_? -107.2 9.46 30.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.828 0.347 . . . . 73.1 110.487 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.527 ' HA ' HD22 ' A' ' 60' ' ' LEU . 74.2 t80 -70.22 121.22 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 73.52 110.432 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.715 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 23.8 m -90.87 128.44 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.645 -0.502 . . . . 72.15 109.645 175.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.26 -38.41 68.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.166 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.59 -30.77 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.015 -0.539 . . . . 61.45 111.654 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.715 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 84.0 mt -65.39 -24.36 67.2 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.838 0.351 . . . . 64.2 111.181 -176.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.27 -26.23 64.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.547 . . . . 61.34 111.071 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.97 -13.99 59.9 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.668 -0.696 . . . . 71.23 111.396 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 43' ' ' LEU . 96.5 m-85 -90.7 -20.14 22.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.985 0.365 . . . . 72.02 111.985 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER 72.53 1.74 4.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.824 0.45 . . . . 75.25 112.183 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 25.5 m-85 -136.31 130.13 32.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.962 -0.384 . . . . 72.52 109.962 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -125.24 113.95 37.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 123.493 0.496 . . . . 72.04 109.792 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.04 133.55 68.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 75.02 110.513 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.09 128.7 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.824 -0.91 . . . . 62.3 110.824 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -114.13 158.04 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.334 0.588 . . . . 65.21 111.158 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -110.93 28.1 9.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.095 -0.957 . . . . 70.42 109.34 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.63 -63.53 5.02 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.9 -0.591 . . . . 55.33 112.781 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -74.16 -29.48 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 74.23 110.241 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.56 -47.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.168 -0.773 . . . . 70.55 111.168 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.6 108.21 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.817 -0.438 . . . . 72.51 109.817 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.89 121.38 9.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 62.14 110.188 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -136.78 136.48 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 70.32 110.116 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 39' ' ' TYR . 6.1 mp -92.99 151.19 20.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.531 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -144.21 155.28 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.676 -0.49 . . . . 75.31 109.676 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 48' ' ' TYR . . . -112.27 143.53 17.57 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.278 -0.487 . . . . 75.02 112.555 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 86.8 m-85 -144.55 177.35 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.981 0.513 . . . . 61.34 109.9 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -124.54 156.85 36.66 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.744 -0.835 . . . . 71.43 108.744 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HA ' HG12 ' A' ' 77' ' ' ILE . 1.3 p30 -78.18 108.19 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 61.43 110.47 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-N 115.362 -0.835 . . . . 65.4 110.117 176.777 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 111.928 0.344 . . . . 73.43 111.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.67 104.58 15.52 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.071 0.463 . . . . 72.22 111.501 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.666 HG12 ' HA ' ' A' ' 65' ' ' ASP . 49.4 mt -111.32 122.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 71.25 109.781 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -78.27 -44.99 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 72.44 110.107 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 t -64.01 -20.11 65.67 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.495 -0.321 . . . . 60.34 110.883 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' H ' HG22 ' A' ' 77' ' ' ILE . 57.9 tp -76.73 -37.2 56.42 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.115 -0.328 . . . . 75.52 110.115 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.05 -42.86 91.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.238 0.542 . . . . 73.21 109.956 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 17.6 mm-40 -64.04 -48.75 75.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.476 -0.784 . . . . 73.11 110.326 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -51.65 -46.71 63.81 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.467 -0.788 . . . . 75.02 111.461 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 80' ' ' LEU . 49.2 mm -63.07 -42.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.317 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -63.91 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.702 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.0 mt-10 -78.64 -49.48 13.12 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.24 -0.436 . . . . 73.24 111.175 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.71 -78.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.32 112.035 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.2 t -84.47 64.95 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.392 0.615 . . . . 74.14 110.644 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -105.88 11.11 32.19 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.474 0.654 . . . . 73.41 110.089 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.11 -162.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.627 -0.715 . . . . 74.35 109.83 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.68 46.83 3.16 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.969 -0.634 . . . . 51.45 112.315 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.2 p -96.66 -164.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.747 0.419 . . . . 74.15 110.544 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.97 32.5 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.041 -0.355 . . . . 41.31 110.041 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -166.63 168.43 14.5 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.863 0.363 . . . . 73.3 110.857 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -141.8 146.49 35.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 75.22 110.212 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 60.3 t -128.32 119.15 49.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 120.789 0.328 . . . . 64.31 110.671 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -107.66 136.59 47.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 74.34 110.024 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.78 139.52 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 75.22 109.877 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 102.05 5.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.682 -0.488 . . . . 74.32 109.682 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 102' ' ' LYS . 42.3 mm -65.04 147.27 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.815 -0.629 . . . . 71.43 109.474 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -77.98 -3.78 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.589 -0.278 . . . . 64.12 111.466 -173.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.548 ' H ' HG22 ' A' ' 100' ' ' ILE . 25.6 mtmm -95.22 169.94 9.74 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 110.224 -0.287 . . . . 73.23 110.224 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--O 1.238 0.465 0 N-CA-C 109.195 -0.669 . . . . 45.42 109.195 173.352 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.027 -0.429 . . . . 70.41 112.027 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.548 ' HG2' HG13 ' A' ' 11' ' ' ILE . 36.6 tt0 -155.19 -76.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.652 -0.499 . . . . 62.21 109.652 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.5 mt -132.52 93.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 63.45 109.604 176.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 32.23 109.993 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 20.1 mm -99.99 114.05 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.265 -0.425 . . . . 54.32 110.017 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -108.75 111.71 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.984 -0.376 . . . . 74.3 109.984 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -145.46 142.82 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 64.25 109.433 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.3 mm100 58.47 23.35 10.6 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.739 0.304 . . . . 63.43 110.444 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 m120 62.45 36.52 14.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.319 0.581 . . . . 73.11 110.673 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.8 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.583 -0.735 . . . . 64.31 109.14 173.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.43 124.92 50.1 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.177 0.298 . . . . 75.45 110.419 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 53.6 m-85 -122.13 159.15 27.77 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.308 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -125.24 138.63 54.11 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.241 -0.651 . . . . 54.41 109.241 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.6 tp -81.13 100.33 9.0 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.969 0.414 . . . . 65.22 109.994 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.19 -14.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 73.54 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -163.53 132.94 4.05 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.915 0.388 . . . . 73.5 111.621 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 30' ' ' PHE . 49.2 t-20 -123.23 132.65 54.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.16 -1.052 . . . . 65.04 108.16 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 73.2 t80 -122.71 110.18 15.18 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 72.3 109.993 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 55.26 53.09 10.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.649 0.593 . . . . 74.53 111.287 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.64 27.29 15.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.966 0.412 . . . . 73.03 110.52 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.68 96.89 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.746 -0.661 . . . . 53.11 112.719 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 59.9 t80 -73.89 94.84 2.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 75.23 111.491 -177.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.513 HD22 ' N ' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -109.08 113.11 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.407 -0.96 . . . . 61.52 108.407 169.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.9 tt0 -57.39 -41.75 80.87 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.964 -0.384 . . . . 74.05 109.964 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.35 -44.08 64.99 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.369 -0.832 . . . . 74.32 111.223 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.33 -38.74 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 42.42 110.495 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.74 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 74.12 110.909 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.9 ptmt -63.63 -24.13 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 70.23 111.36 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.15 -26.81 35.78 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.329 -0.396 . . . . 73.12 111.186 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -99.32 -21.48 16.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.351 -0.386 . . . . 62.23 111.152 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.88 131.7 48.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.082 0.468 . . . . 73.53 112.079 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t -124.44 156.89 36.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.38 -0.827 . . . . 72.41 110.062 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.69 -17.04 62.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.269 -0.423 . . . . 52.52 111.131 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -59.22 -28.65 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.24 0.543 . . . . 75.01 110.441 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 49' ' ' ILE . 71.2 mt -81.77 -13.93 57.09 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.597 -0.729 . . . . 65.15 111.398 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -60.22 -33.76 72.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.466 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.41 -11.53 60.27 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.236 -0.438 . . . . 44.42 111.974 -175.132 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 97.6 m-85 -89.35 -31.19 17.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.773 -0.194 . . . . 72.42 111.136 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 69.03 1.46 3.19 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.139 0.576 . . . . 63.43 112.011 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -134.77 115.32 13.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.162 -0.681 . . . . 73.34 109.162 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.2 mm -112.4 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 73.21 110.338 -175.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 96' ' ' VAL . 61.5 t -113.85 148.34 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.578 -0.527 . . . . 74.01 109.578 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.74 121.3 2.11 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.331 -0.708 . . . . 61.25 111.331 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -103.84 138.37 40.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.002 -0.369 . . . . 75.12 110.002 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -81.83 -30.27 32.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 73.33 109.826 175.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.12 -79.23 0.01 OUTLIER Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.535 -0.757 . . . . 55.32 112.158 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -128.89 -21.69 3.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 75.15 110.17 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.41 -31.88 0.39 Allowed Glycine 0 C--O 1.234 0.144 0 N-CA-C 111.054 -0.819 . . . . 74.23 111.054 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.48 88.58 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.392 -0.595 . . . . 71.33 109.392 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 59' ' ' ARG . 1.7 tt -67.97 125.7 27.14 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.389 -174.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 83' ' ' TYR . 22.6 ttm-85 -122.95 132.17 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.705 . . . . 74.41 110.158 -177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.17 141.51 31.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.871 0.367 . . . . 54.12 110.088 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -139.5 130.4 26.22 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.911 -0.774 . . . . 73.23 108.911 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.04 141.04 16.07 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.882 -0.675 . . . . 70.34 111.705 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.66 165.28 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 73.44 110.589 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 154.73 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.896 -0.779 . . . . 64.43 108.896 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -70.69 113.41 7.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 72.32 111.121 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.793 -0.64 . . . . 74.34 109.605 173.251 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.46 -0.57 . . . . 74.32 109.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.8 tptt 44.45 35.01 1.19 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.825 0.821 . . . . 74.0 111.098 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 66.7 mt -57.38 118.34 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.262 -0.881 . . . . 71.43 110.292 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 t -62.33 -44.24 96.96 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.646 -0.252 . . . . 61.04 111.192 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -63.25 -25.98 68.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.235 0.541 . . . . 62.1 110.136 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 45.1 tp -75.82 -41.42 52.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 53.54 110.128 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.33 -33.73 71.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.722 -0.672 . . . . 70.21 110.017 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.19 -49.18 15.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.504 -0.771 . . . . 63.12 110.167 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 59' ' ' ARG . 87.7 t80 -53.58 -44.85 69.7 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.373 -0.831 . . . . 64.45 111.628 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.72 -48.31 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.429 -0.35 . . . . 65.41 110.661 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -57.81 -27.48 63.17 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.11 -0.495 . . . . 50.52 111.712 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.39 -31.12 57.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.751 0.31 . . . . 75.14 111.156 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -110.75 -56.49 2.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.926 0.394 . . . . 72.54 111.733 -173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.26 114.29 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.13 110.378 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -112.22 -53.73 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.673 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -160.72 150.21 17.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.142 -0.318 . . . . 72.32 110.142 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.19 2.58 67.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.231 -0.509 . . . . 75.33 111.864 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.4 p -112.8 178.29 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.706 0.402 . . . . 71.54 110.039 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -139.07 162.29 35.3 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.474 -0.33 . . . . 65.32 110.986 -176.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.82 177.16 8.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.005 -0.543 . . . . 75.03 109.913 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.7 152.53 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.544 -0.298 . . . . 72.4 110.733 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.457 HG13 HG22 ' A' ' 50' ' ' VAL . 44.4 t -128.75 120.17 51.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.843 0.354 . . . . 72.42 110.612 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.87 136.42 48.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.06 -0.518 . . . . 72.0 110.382 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -111.28 117.38 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.93 -0.577 . . . . 65.43 109.585 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.696 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 2.2 tmm_? -83.11 130.99 35.16 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.764 -0.458 . . . . 60.23 109.764 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mm -76.29 3.93 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.162 -0.472 . . . . 51.42 111.536 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.696 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 17.3 mtp180 57.84 13.9 2.29 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.608 0.718 . . . . 43.04 110.255 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.606 ' HG2' ' N ' ' A' ' 103' ' ' LEU . 21.1 ttmm -134.32 167.24 21.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.179 -0.919 . . . . 74.41 109.776 -170.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.606 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 2.8 tm? . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 168.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.858 -0.097 . . . . 73.42 112.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.26 -55.5 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.382 -0.97 . . . . 73.43 108.382 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HD23 ' A' ' 22' ' ' LEU . 63.8 mt -136.62 90.68 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.602 -0.888 . . . . 62.45 108.602 171.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.51 131.42 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 73.12 110.302 -176.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 24.0 mm -113.83 121.91 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.345 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.72 112.7 24.57 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.981 -0.377 . . . . 70.52 109.981 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -146.93 147.02 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.362 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.0 mm100 53.38 28.24 7.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.897 0.479 . . . . 54.14 111.535 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 45.0 m-80 64.21 44.57 4.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.933 -0.576 . . . . 64.42 110.809 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.59 138.88 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.572 . . . . 74.34 109.625 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 100' ' ' ILE . 19.1 tt0 -90.46 140.38 29.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.586 -0.524 . . . . 73.43 109.586 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 90.5 m-85 -134.43 158.9 42.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.954 -0.387 . . . . 75.33 109.954 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -131.28 145.1 51.75 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.524 -0.547 . . . . 64.51 109.524 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.447 HD23 HD12 ' A' ' 11' ' ' ILE . 50.9 tp -80.6 117.84 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.699 -0.482 . . . . 72.12 109.699 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.87 -22.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.606 0.241 . . . . 72.33 111.444 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.98 138.86 20.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.706 0.288 . . . . 73.01 111.033 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 32.4 t30 -157.57 142.74 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.629 -0.714 . . . . 74.41 109.547 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' HD1' ' HB2' ' A' ' 27' ' ' LYS . 13.6 t80 -149.28 136.67 20.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.688 -0.486 . . . . 72.13 109.688 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 65.16 28.28 12.2 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.709 0.631 . . . . 60.42 110.567 176.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.6 25.93 12.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 71.31 110.351 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.55 -29.34 60.79 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.786 -0.643 . . . . 51.33 112.31 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -70.1 97.52 1.19 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.372 0.606 . . . . 65.52 110.983 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.9 106.8 14.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.231 -0.895 . . . . 75.04 108.6 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 40.5 tt0 -49.56 -44.72 46.96 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.443 0.464 . . . . 74.32 110.977 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.33 -35.99 72.73 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.039 -0.528 . . . . 72.33 111.151 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.88 62.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.004 0.43 . . . . 73.2 110.292 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.8 -57.86 10.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.653 -0.703 . . . . 74.01 110.694 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.5 ptmm? -61.39 -29.34 69.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.527 . . . . 75.52 111.311 -177.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.2 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.956 0.407 . . . . 61.55 110.774 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -78.47 -26.85 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 73.12 111.521 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.27 124.06 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.155 0.502 . . . . 74.01 111.704 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.7 t -118.33 152.71 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 70.11 108.671 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -60.32 -31.6 70.44 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.622 0.249 . . . . 61.22 111.425 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.0 tp -61.15 -28.94 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.892 0.377 . . . . 54.23 111.159 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.63 -18.95 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.76 0.314 . . . . 72.44 111.308 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.7 -27.05 68.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.457 -0.338 . . . . 65.21 111.335 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.03 -18.37 65.3 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.307 -0.406 . . . . 72.44 111.374 -176.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 48' ' ' TYR . 95.6 m-85 -82.98 -25.06 32.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.438 -0.346 . . . . 62.54 110.301 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 3.2 p30 48.26 11.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.688 1.195 . . . . 43.31 113.744 -174.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' H ' ' C ' ' A' ' 46' ' ' TYR . 69.3 m-85 -137.24 114.53 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.332 -0.988 . . . . 72.13 108.332 169.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mm -114.51 114.85 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 73.33 110.381 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 80' ' ' LEU . 99.5 t -104.66 111.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.202 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.54 119.81 5.95 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.933 -0.867 . . . . 73.52 110.933 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -120.0 129.01 54.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -85.4 -41.91 15.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.634 -0.506 . . . . 74.41 109.634 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.49 -90.99 0.01 OUTLIER Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.444 -0.798 . . . . 72.44 114.071 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -88.32 1.78 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 72.5 111.218 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.37 26.69 6.45 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.148 -0.478 . . . . 42.12 112.039 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.5 119.08 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 65.54 109.718 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.04 108.96 15.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 72.42 110.202 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 59' ' ' ARG . 41.2 ttm180 -124.72 140.17 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 71.4 109.593 176.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.82 112.37 24.31 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.038 0.447 . . . . 61.13 110.014 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -105.47 122.51 46.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.589 -0.893 . . . . 64.23 108.589 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.55 142.67 18.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.87 -0.681 . . . . 70.34 112.666 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -130.13 168.44 16.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 64.43 110.328 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -107.65 170.2 8.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.962 -0.563 . . . . 73.21 109.843 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -61.59 130.3 45.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.046 0.451 . . . . 73.54 110.239 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' HG23 ' A' ' 77' ' ' ILE . 28.2 t70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.895 -0.593 . . . . 72.43 109.986 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.234 0.247 0 N-CA-C 111.65 0.241 . . . . 64.23 111.65 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.53 116.13 30.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.928 0.395 . . . . 75.3 111.479 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 66' ' ' ASP . 65.9 mt -95.3 112.03 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.866 -0.791 . . . . 75.02 108.866 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -62.85 -47.06 85.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.672 -0.24 . . . . 72.33 111.349 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -62.59 -24.59 67.64 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.933 0.397 . . . . 71.44 110.636 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD21 HG21 ' A' ' 96' ' ' VAL . 60.3 tp -73.76 -38.14 64.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.155 -0.475 . . . . 61.15 110.282 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.66 -39.25 73.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 60.5 109.979 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.3 -38.15 60.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 65.2 110.218 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.29 -55.14 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.288 -0.869 . . . . 62.24 110.857 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.48 HG23 ' HB3' ' A' ' 88' ' ' CYS . 49.3 mm -60.92 -37.5 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 73.31 110.41 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.22 -28.64 63.07 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.745 -0.662 . . . . 74.42 110.512 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.43 -51.82 7.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.951 -0.568 . . . . 72.25 110.756 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -80.2 -84.81 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.989 -0.55 . . . . 74.52 111.38 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 84' ' ' ILE . 38.8 t -75.84 97.44 3.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.853 0.358 . . . . 44.11 110.276 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -49.63 119.68 3.63 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.032 -0.531 . . . . 63.22 110.009 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -44.81 98.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.749 0.656 . . . . 73.43 110.758 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -22.38 1.19 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.222 -0.899 . . . . 71.21 111.019 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.434 ' SG ' ' C ' ' A' ' 88' ' ' CYS . 3.9 p -88.75 -167.89 2.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.436 0.294 . . . . 65.3 110.473 175.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.17 133.8 49.34 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.388 0.514 . . . . 70.52 112.388 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -160.0 167.02 28.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.487 -0.779 . . . . 75.01 109.129 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -158.06 160.23 37.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.73 0.3 . . . . 70.25 110.827 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.454 HG21 HD21 ' A' ' 80' ' ' LEU . 40.9 t -139.93 123.17 17.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.358 -0.383 . . . . 63.15 110.205 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 13' ' ' ILE . 10.0 mp -107.39 140.99 39.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.973 0.416 . . . . 72.43 110.812 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -111.21 130.39 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.331 -0.85 . . . . 75.35 109.653 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 47' ' ' ASP . 3.7 tmm_? -79.38 122.28 26.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.097 0.475 . . . . 71.33 110.465 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 39.5 mm -85.16 144.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 74.22 110.011 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' H ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -90.15 58.42 4.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.084 0.469 . . . . 75.13 111.056 -178.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 39.0 mttt -153.76 151.52 29.68 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.65 -0.704 . . . . 73.03 110.623 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 1.3 tm? . . . . . 0 C--O 1.235 0.332 0 N-CA-C 107.694 -1.225 . . . . 73.25 107.694 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 111.099 -0.801 . . . . 55.31 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 11' ' ' ILE . 34.3 tt0 -159.97 -60.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.778 0.289 . . . . 42.23 110.422 175.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' HG2' ' A' ' 10' ' ' GLU . 68.0 mt -130.63 101.94 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.301 -0.409 . . . . 72.25 110.34 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.9 OUTLIER -106.85 135.42 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.812 -0.44 . . . . 74.1 109.812 177.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 HD21 ' A' ' 97' ' ' LEU . 23.4 mm -110.2 108.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 62.22 110.625 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -99.46 126.86 45.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.023 0.44 . . . . 71.15 110.06 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.79 HG12 ' H ' ' A' ' 16' ' ' GLN . 11.0 tt -144.82 -173.09 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.334 -0.617 . . . . 62.51 109.334 -175.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.79 ' H ' HG12 ' A' ' 15' ' ' ILE . 15.6 mm100 -43.03 99.9 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.226 0.61 . . . . 72.22 112.561 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER 55.95 27.58 11.37 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.881 -0.599 . . . . 75.02 111.393 173.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.4 132.82 22.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.842 0.353 . . . . 71.1 111.457 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.527 ' HB2' HD23 ' A' ' 103' ' ' LEU . 32.7 tt0 -117.69 119.22 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.546 -0.909 . . . . 73.44 108.546 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.13 168.63 11.01 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.295 0.238 . . . . 70.22 110.513 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' MET . 14.8 pt-20 -136.87 143.67 43.15 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.601 -0.518 . . . . 74.43 109.601 169.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 43.6 tp -79.54 100.38 7.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 61.41 109.604 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.38 -16.51 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.108 -0.496 . . . . 63.31 111.262 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -159.28 133.64 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.555 -0.293 . . . . 62.41 110.508 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 28' ' ' ASP . 50.2 t30 -144.03 114.6 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 63.12 109.905 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -102.99 130.23 50.02 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.5 -0.318 . . . . 71.33 110.222 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.47 13.51 8.9 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.125 0.57 . . . . 75.31 110.682 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 m-20 54.99 33.02 19.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.657 -0.701 . . . . 75.01 110.336 -172.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.89 -4.38 40.83 Favored Glycine 0 C--N 1.334 0.442 0 CA-C-N 115.467 -0.788 . . . . 25.41 112.767 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 71.3 t80 -62.02 103.1 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 75.33 110.767 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' OD1' ' HG3' ' A' ' 33' ' ' GLU . 24.9 t-20 -110.3 101.5 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.829 -0.804 . . . . 61.42 108.829 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -56.18 -51.69 67.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.875 -0.602 . . . . 75.04 111.817 -172.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HG3' ' OD1' ' A' ' 31' ' ' ASN . 7.3 pt-20 -55.77 -39.69 71.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.454 -0.339 . . . . 75.25 111.311 -177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HG ' ' A' ' 58' ' ' LEU . . . -67.18 -44.83 78.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.93 0.395 . . . . 73.32 110.558 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.36 -57.06 14.3 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.69 -0.686 . . . . 71.31 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.28 -19.36 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 73.44 111.7 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.56 -24.03 34.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.811 0.338 . . . . 71.11 111.169 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 5.6 mmp_? -109.2 -4.14 16.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.331 -0.395 . . . . 75.44 111.555 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 60' ' ' LEU . 85.3 t80 -60.54 115.69 3.78 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.856 0.36 . . . . 74.35 111.858 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 45.6 m -95.44 122.2 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 74.44 109.46 173.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -50.59 -40.68 53.13 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.34 0.496 . . . . 63.25 112.34 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tp -55.16 -28.16 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 120.981 0.419 . . . . 75.5 111.875 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 93.1 mt -67.6 -21.14 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 72.14 111.645 -176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.81 -28.61 66.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.005 0.431 . . . . 75.35 111.124 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -60.75 -31.94 71.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.83 -0.623 . . . . 64.54 111.363 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 34.8 m-85 -68.91 -24.2 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 74.41 111.614 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t70 72.61 -0.69 3.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.246 0.618 . . . . 43.03 111.007 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -145.95 115.43 7.16 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.282 -0.417 . . . . 73.51 110.068 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 43' ' ' LEU . 34.6 mm -117.62 117.15 54.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.248 -0.433 . . . . 64.41 109.921 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 96' ' ' VAL . 43.6 t -116.78 122.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.554 -0.294 . . . . 74.13 110.532 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -105.23 121.68 6.96 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.66 -0.576 . . . . 65.02 111.66 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -111.22 153.59 25.62 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.044 0.45 . . . . 62.43 111.24 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -111.15 37.34 2.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.474 -0.785 . . . . 75.44 109.661 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -56.34 15.81 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.725 -0.67 . . . . 60.4 113.525 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.57 1.73 56.61 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.936 0.398 . . . . 72.24 110.069 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.58 -26.29 20.69 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.432 -1.067 . . . . 75.34 110.432 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.65 123.06 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.638 -0.505 . . . . 65.45 109.638 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' HG ' ' HB1' ' A' ' 34' ' ' ALA . 3.0 tm? -71.67 109.28 5.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.153 -0.684 . . . . 75.42 109.153 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.553 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 4.0 mmp_? -114.66 130.18 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.083 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' TYR . 11.1 mp -93.81 113.65 25.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.811 -0.44 . . . . 64.23 109.811 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.5 121.77 45.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.893 -0.594 . . . . 72.22 109.444 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.08 133.34 11.7 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.11 -0.567 . . . . 64.2 112.025 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 89.2 m-85 -125.76 164.25 21.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 75.13 110.746 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.92 171.69 7.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 74.34 109.86 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.38 131.6 51.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.998 0.428 . . . . 70.41 110.526 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 10.0 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.593 -0.73 . . . . 73.13 109.23 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.148 0.499 . . . . 62.23 111.763 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.56 78.69 4.33 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.334 -0.617 . . . . 61.51 109.334 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.6 mt -62.21 108.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 71.11 110.467 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -57.68 -50.09 74.32 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.101 -0.499 . . . . 73.23 111.131 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 t -61.2 -26.64 67.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.014 0.435 . . . . 75.44 110.79 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 31.9 tp -72.32 -40.63 67.3 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.191 -0.458 . . . . 65.33 110.123 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.47 -39.46 87.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 70.23 109.549 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.0 -29.57 66.68 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.267 -0.879 . . . . 72.23 110.371 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -71.02 -40.64 71.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.627 -0.715 . . . . 75.24 110.616 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.01 -37.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 75.21 110.278 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.39 -17.79 60.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.916 -0.583 . . . . 71.34 111.269 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.27 -29.4 63.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 75.25 111.186 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -110.91 -49.41 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.433 0.635 . . . . 63.13 111.043 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 92' ' ' CYS . 55.8 m -94.5 114.18 26.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.007 -0.997 . . . . 63.33 111.896 -168.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -91.38 -44.19 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.671 -0.863 . . . . 53.33 108.671 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -152.15 -65.46 0.17 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.364 -0.834 . . . . 62.51 109.47 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.45 107.69 2.03 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 110.753 -0.939 . . . . 74.52 110.753 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 88' ' ' CYS . 51.1 t -143.89 168.42 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 64.43 111.107 -172.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -164.97 118.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.712 -0.676 . . . . 74.22 109.814 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -161.36 160.64 29.84 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.794 -0.447 . . . . 72.41 109.794 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 30.1 p90 -136.08 140.28 43.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 50.43 110.802 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 50' ' ' VAL . 43.5 t -117.82 117.63 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.39 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 13' ' ' ILE . 10.2 mp -108.53 136.76 47.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.771 -0.65 . . . . 72.32 110.022 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.45 143.29 36.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.457 -0.571 . . . . 65.42 109.457 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -75.52 116.85 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 61.13 110.947 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 102' ' ' LYS . 49.6 mm -76.28 111.57 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.886 -1.153 . . . . 73.11 107.886 168.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -69.88 78.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.093 0.949 . . . . 73.54 109.369 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HB3' HG22 ' A' ' 100' ' ' ILE . 31.7 tttm 175.92 136.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 113.519 -1.673 . . . . 50.11 108.536 -171.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 108.196 -1.039 . . . . 65.11 108.196 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 110.231 -1.148 . . . . 74.2 110.231 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.7 -50.53 64.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 117.674 0.737 . . . . 72.03 109.603 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 22' ' ' LEU . 49.9 mt -127.09 87.52 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.772 -0.649 . . . . 53.3 109.312 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.487 -0.779 . . . . 73.01 110.506 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 97' ' ' LEU . 20.5 mm -120.99 98.86 6.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.488 -0.56 . . . . 73.05 109.488 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.42 122.24 43.91 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.417 -0.586 . . . . 60.35 109.417 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.0 tt -150.73 136.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.574 -0.285 . . . . 72.12 110.978 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.9 mm-40 53.99 45.97 26.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.004 -0.543 . . . . 71.53 111.654 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 58.08 38.66 26.58 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.031 -0.531 . . . . 65.32 110.805 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.21 142.1 42.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 44.15 110.325 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 103' ' ' LEU . 40.5 tt0 -101.95 114.18 28.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.596 -0.729 . . . . 75.22 110.383 -176.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 78.7 m-85 -120.04 164.47 16.09 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.617 -0.512 . . . . 61.23 109.617 175.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 100' ' ' ILE . 11.0 pt-20 -147.05 149.29 32.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.929 -0.767 . . . . 72.1 108.929 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD23 HD12 ' A' ' 11' ' ' ILE . 57.7 tp -74.29 102.97 4.52 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.651 -0.5 . . . . 72.35 109.651 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -92.5 -22.92 5.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.068 -0.515 . . . . 75.01 111.417 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.5 t60 -156.77 135.32 11.51 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.308 -0.256 . . . . 64.33 110.308 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 28' ' ' ASP . 34.4 t30 -143.71 137.74 28.37 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -137.3 135.3 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.058 -0.349 . . . . 64.21 110.058 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.65 19.58 11.44 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.985 -0.552 . . . . 64.24 110.737 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 25' ' ' ASN . 30.3 m-20 57.26 32.14 21.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.955 -0.566 . . . . 75.12 110.774 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -16.66 64.12 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.995 -0.548 . . . . 61.11 112.502 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.31 130.61 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.73 0.3 . . . . 74.54 111.175 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.59 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.1 t-20 -154.47 125.44 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.106 -0.702 . . . . 75.21 109.106 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 26.6 tt0 -61.14 -50.66 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.504 -0.317 . . . . 72.02 111.571 -174.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.59 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.8 pt-20 -58.82 -32.94 69.83 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.732 0.301 . . . . 71.21 111.161 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' HD23 ' A' ' 58' ' ' LEU . . . -78.3 -42.07 31.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 71.4 110.359 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.94 -58.06 10.06 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.783 -0.644 . . . . 75.3 110.989 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.7 ptmt -63.7 -19.76 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 74.31 111.488 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.58 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 73.51 110.849 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.8 mmp_? -92.54 -1.45 56.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.362 -0.381 . . . . 65.05 111.725 -176.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.86 142.16 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.817 -0.438 . . . . 72.15 109.817 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.416 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.2 t -139.98 158.27 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 72.53 110.373 -177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.46 -47.64 84.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.621 -0.718 . . . . 74.22 112.082 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.05 -31.22 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.01 0.434 . . . . 75.24 111.337 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.591 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 88.6 mt -67.58 -30.14 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 64.54 111.13 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -55.02 -45.65 75.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 70.34 112.105 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -70.31 -12.84 61.86 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.444 0.535 . . . . 62.32 112.444 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.591 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 70.6 m-85 -71.63 -26.48 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.36 -0.212 . . . . 74.53 110.5 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 19.0 t70 76.59 -0.31 3.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.332 0.653 . . . . 74.23 110.901 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -142.97 127.12 17.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.485 . . . . 71.14 110.221 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 43' ' ' LEU . 24.0 mm -119.31 113.49 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.496 -0.557 . . . . 73.1 109.496 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.8 p -124.87 120.84 59.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.81 0.338 . . . . 45.31 110.31 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.02 125.73 8.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.189 -0.529 . . . . 73.31 112.147 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -104.65 133.84 48.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.924 0.393 . . . . 73.22 110.285 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.413 ' CZ2' HD22 ' A' ' 58' ' ' LEU . 77.0 m95 -97.02 -0.71 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.834 -0.621 . . . . 72.55 109.756 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.3 92.99 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 115.765 -0.652 . . . . 74.31 112.712 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.17 -14.91 63.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.913 0.387 . . . . 75.31 110.577 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.37 -51.35 0.7 Allowed Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 111.573 -0.611 . . . . 52.31 111.573 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -103.98 131.47 51.2 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.316 -0.624 . . . . 72.41 109.316 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 ' HB1' ' A' ' 34' ' ' ALA . 59.9 tp -56.39 117.05 3.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.188 0.518 . . . . 74.12 111.943 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.539 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 29.0 ttm105 -113.04 129.16 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.512 -0.767 . . . . 73.12 109.619 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 38' ' ' ARG . 10.1 mp -94.37 107.5 19.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.432 -0.581 . . . . 60.3 109.432 173.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -99.12 163.03 12.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 75.4 109.409 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.26 144.62 15.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.979 -0.629 . . . . 75.12 112.357 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -137.78 168.3 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.866 -0.42 . . . . 75.31 109.866 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.98 164.83 11.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.611 -0.514 . . . . 65.25 109.611 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 109.56 1.05 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.517 0.675 . . . . 61.3 110.492 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 77' ' ' ILE . 25.9 t0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.135 -0.939 . . . . 73.14 109.672 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 110.666 -0.124 . . . . 64.42 110.666 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -145.97 133.8 21.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.687 0.28 . . . . 62.21 110.273 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 80' ' ' LEU . 61.6 mt -144.38 114.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.004 -0.739 . . . . 74.31 109.004 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -72.44 -45.51 59.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 73.02 111.076 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -61.69 -18.91 61.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.986 0.422 . . . . 75.24 110.853 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' H ' HG22 ' A' ' 77' ' ' ILE . 50.6 tp -64.04 -47.64 79.42 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 109.703 -0.48 . . . . 74.35 109.703 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.53 -41.06 96.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.641 -0.709 . . . . 60.42 110.081 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.06 -38.23 78.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.653 -0.703 . . . . 73.12 110.706 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -71.89 -48.72 43.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.72 -0.673 . . . . 74.43 110.621 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 88' ' ' CYS . 46.9 mm -57.85 -41.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 72.02 110.28 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -56.42 -26.02 52.1 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.621 . . . . 71.53 111.641 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.92 -56.61 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.361 -0.381 . . . . 73.13 111.51 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -88.1 -42.34 12.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 75.55 111.413 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 44.3 t -113.21 85.44 2.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 71.44 110.431 -174.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.32 150.82 46.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.979 -0.555 . . . . 74.22 110.784 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.0 t80 67.01 -73.59 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.776 0.672 . . . . 74.5 110.776 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.46 75.89 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.521 -0.632 . . . . 64.1 111.521 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.5 p -89.02 -157.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.264 -0.273 . . . . 74.12 110.264 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.59 127.44 32.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.873 0.368 . . . . 72.31 111.599 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -165.21 155.04 13.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.754 -0.657 . . . . 65.24 109.607 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.43 152.1 42.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.5 -0.318 . . . . 63.54 110.554 -177.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 46.5 t -129.48 121.85 54.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 123.504 0.503 . . . . 73.24 110.91 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 11.3 mp -111.91 147.77 35.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.029 -0.73 . . . . 54.11 109.029 171.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -113.07 133.68 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.181 -0.303 . . . . 64.01 110.181 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 6.5 tmm_? -74.92 93.17 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.867 -1.16 . . . . 72.42 107.867 174.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 21' ' ' GLU . 40.8 mm -61.14 -71.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 65.44 111.791 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -167.0 -170.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.0 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -85.32 75.88 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.42 0.526 . . . . 73.1 112.42 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.472 0.66 0 O-C-N 124.299 0.999 . . . . 44.24 113.156 165.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.503 0 N-CA-C 111.78 -0.528 . . . . 55.52 111.78 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.27 -63.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.502 -0.555 . . . . 64.31 109.502 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 22' ' ' LEU . 75.8 mt -143.85 93.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.591 -0.731 . . . . 71.3 109.211 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.07 122.11 41.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.044 -0.525 . . . . 75.43 110.694 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 HD21 ' A' ' 97' ' ' LEU . 32.1 mm -107.32 101.24 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 44.42 110.236 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.5 mp -92.88 111.13 22.63 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.682 -0.488 . . . . 73.12 109.682 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.589 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.2 tt -141.94 134.07 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.306 -0.406 . . . . 51.41 110.871 -176.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.589 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.0 mm-40 52.81 39.95 29.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.867 0.467 . . . . 73.24 111.27 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 58.38 43.97 19.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.39 0.614 . . . . 61.54 110.778 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.3 118.53 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 63.34 109.681 174.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.98 116.3 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 72.32 110.117 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -115.09 167.15 11.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.436 -0.347 . . . . 73.31 110.315 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.4 pt-20 -134.3 144.1 48.13 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.51 -0.552 . . . . 64.23 109.51 171.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 25' ' ' ASN . 48.2 tp -82.14 100.93 10.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.682 -0.488 . . . . 63.3 109.682 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.78 -29.17 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 74.31 111.163 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -146.57 133.59 20.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 63.44 110.644 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' A' ' 22' ' ' LEU . 41.0 t30 -140.12 108.43 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.45 -0.574 . . . . 75.21 109.45 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 33.6 t80 -93.29 126.32 38.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 60.3 110.726 -176.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 9.9 mmpt? 60.71 23.41 13.28 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.713 0.633 . . . . 72.21 111.503 175.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.47 38.48 28.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.146 0.498 . . . . 74.3 110.99 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -77.34 -1.81 76.92 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.803 -0.635 . . . . 62.32 112.88 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.3 97.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 51.45 111.177 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -112.03 102.26 10.49 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.47 -0.567 . . . . 75.11 109.47 172.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.533 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 17.6 tt0 -55.18 -42.62 73.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.747 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.03 -40.39 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 71.51 111.282 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.91 57.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 75.11 110.162 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HD11 ' A' ' 60' ' ' LEU . 66.6 t80 -57.82 -58.56 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 63.23 111.152 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.5 ptmt -68.32 -19.46 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 72.14 111.403 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -42.99 19.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.214 -0.448 . . . . 54.11 110.798 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.8 mmp_? -89.18 -6.39 56.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.292 -177.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -57.07 139.18 53.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 73.51 110.474 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 m -132.39 152.4 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.485 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.19 -41.26 79.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.226 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.508 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 8.0 tp -58.49 -28.44 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.007 -0.542 . . . . 74.15 111.445 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' A' ' 49' ' ' ILE . 95.5 mt -73.73 -24.75 59.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 44.41 111.807 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.62 -27.07 66.0 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.42 0.526 . . . . 74.54 112.42 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -79.66 -20.37 46.82 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.948 0.722 . . . . 61.32 112.948 -172.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.9 m-85 -72.2 -25.68 61.76 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.988 0.736 . . . . 70.14 112.988 -170.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.7 m-20 69.11 0.29 2.76 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.831 0.452 . . . . 74.33 111.64 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.863 0.465 . . . . 72.33 109.804 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HB3' ' A' ' 43' ' ' LEU . 43.8 mm -118.6 115.12 47.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.33 109.897 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 96' ' ' VAL . 68.1 t -112.83 125.03 70.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.288 -0.415 . . . . 74.12 110.007 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -101.64 120.25 6.79 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.928 -0.869 . . . . 34.34 110.928 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -111.4 152.07 27.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.118 -0.327 . . . . 65.21 110.118 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -104.61 39.1 1.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.138 -0.483 . . . . 75.12 109.867 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.92 128.74 48.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.576 -0.738 . . . . 74.04 111.961 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.0 t80 67.75 1.73 2.76 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.019 0.527 . . . . 54.25 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.57 -7.09 45.79 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 121.209 -0.519 . . . . 62.42 112.836 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.73 134.09 48.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.28 -0.267 . . . . 71.52 110.28 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.6 120.24 23.66 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.984 -0.376 . . . . 64.54 109.984 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.516 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 19.8 ttm180 -126.45 142.5 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 61.23 110.549 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.8 mp -100.16 112.09 24.4 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.487 -0.56 . . . . 72.12 109.487 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 9.8 tmtt? -106.96 129.76 54.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 63.33 108.784 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -86.32 127.85 8.56 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.874 -0.679 . . . . 50.05 111.994 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 94.7 m-85 -118.48 161.81 19.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.32 . . . . 72.42 110.44 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.88 170.03 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.078 -0.51 . . . . 74.32 109.823 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.33 132.31 40.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 74.3 110.779 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 116.009 -0.541 . . . . 72.42 110.722 178.139 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.235 0.316 0 N-CA-C 111.938 0.347 . . . . 62.44 111.938 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -105.55 110.77 23.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.114 0.483 . . . . 70.42 110.544 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.6 mt -93.79 135.47 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.872 -0.604 . . . . 74.14 110.024 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.7 m -77.75 -52.17 9.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 73.04 110.515 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -57.66 -24.27 55.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.994 0.426 . . . . 75.25 110.775 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 36.5 tp -61.71 -60.25 3.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 71.52 110.975 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.48 -33.83 73.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.013 0.435 . . . . 70.51 110.645 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -66.29 -40.86 90.31 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.858 -0.61 . . . . 75.5 110.376 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -66.61 -44.96 80.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.66 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.3 mm -59.39 -40.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.635 . . . . 75.15 110.9 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.88 -28.22 67.36 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.046 -0.525 . . . . 75.41 111.294 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.74 -36.17 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 64.05 111.766 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -118.72 -38.67 3.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.596 0.591 . . . . 72.04 112.596 -170.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.631 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.9 t -116.23 34.07 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.859 0.318 . . . . 74.54 111.859 -168.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -67.0 -28.86 68.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.812 0.339 . . . . 64.11 110.671 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.55 -1.48 34.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.474 -0.33 . . . . 65.1 111.331 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.79 108.24 0.17 Allowed Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.089 -0.577 . . . . 44.31 112.418 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.631 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 26.7 p -129.6 -78.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.767 -0.255 . . . . 53.52 110.702 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . 176.01 141.2 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.648 0.379 . . . . 71.11 110.503 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -169.85 158.65 7.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.721 -0.474 . . . . 73.35 109.721 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -138.85 146.86 41.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.529 0.204 . . . . 75.23 111.034 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 50' ' ' VAL . 47.3 t -120.44 121.04 64.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.355 -0.384 . . . . 63.43 110.828 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 HG13 ' A' ' 13' ' ' ILE . 10.4 mp -109.38 130.54 55.49 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.805 0.442 . . . . 75.5 110.756 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -107.88 128.79 54.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 73.34 109.92 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 47' ' ' ASP . 46.4 ttp180 -77.45 128.84 34.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.977 -0.379 . . . . 71.15 109.977 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 102' ' ' LYS . 20.0 mm -83.31 158.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 71.54 110.387 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -79.6 -1.14 36.66 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.234 -0.439 . . . . 71.33 111.519 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HG2' ' CG2' ' A' ' 100' ' ' ILE . 13.8 ptmm? -108.23 161.14 15.27 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.877 -0.416 . . . . 71.54 109.877 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 2.3 tm? . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.473 -0.936 . . . . 73.22 108.473 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.824 -0.51 . . . . 55.03 111.824 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.75 -50.28 74.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.804 0.335 . . . . 62.43 110.444 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 22' ' ' LEU . 60.1 mt -127.59 101.15 6.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 72.12 110.121 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.15 140.19 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.432 -0.804 . . . . 73.21 110.306 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.57 HG13 HD21 ' A' ' 97' ' ' LEU . 31.2 mm -122.18 110.67 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.366 -0.605 . . . . 64.44 109.366 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.47 115.61 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.311 . . . . 74.41 110.321 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.629 HG12 ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -150.53 135.65 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.346 -0.388 . . . . 70.24 110.936 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.629 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.1 mm-40 56.88 35.63 26.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.094 0.473 . . . . 73.34 110.835 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 59.66 17.01 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.589 -0.732 . . . . 64.53 111.559 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.05 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.902 -0.777 . . . . 63.02 108.902 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 103' ' ' LEU . 38.9 tt0 -104.78 132.98 50.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.051 -0.352 . . . . 72.13 110.051 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 97.6 m-85 -133.72 164.58 26.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.182 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HG2' HD11 ' A' ' 100' ' ' ILE . 6.8 pt-20 -133.46 148.2 51.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.152 -0.684 . . . . 72.02 109.152 169.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 11' ' ' ILE . 47.3 tp -77.28 100.34 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 62.32 109.737 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.71 -21.59 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.52 -0.309 . . . . 75.3 111.244 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 21.8 t-80 -150.94 133.53 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.952 -0.388 . . . . 74.22 109.952 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.2 t30 -141.76 126.52 18.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.225 -0.657 . . . . 74.44 109.225 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 41.9 t80 -118.62 128.15 54.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 73.43 110.299 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 8.7 mmpt? 60.58 21.48 11.3 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.746 0.654 . . . . 61.14 110.36 178.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.4 m-20 54.06 32.55 15.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.4 -0.818 . . . . 74.33 111.175 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.09 -7.71 63.33 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 116.005 -0.543 . . . . 54.2 112.924 -177.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -69.54 92.39 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.268 0.556 . . . . 73.4 111.096 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -94.92 106.89 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.928 -0.767 . . . . 65.11 108.928 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.8 -46.85 74.56 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.431 -0.35 . . . . 70.52 111.523 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.01 -42.13 97.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.804 -0.18 . . . . 70.05 110.687 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.49 94.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.936 0.398 . . . . 63.03 110.268 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -56.7 -58.8 6.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.695 -0.684 . . . . 75.33 110.643 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 15' ' ' ILE . 13.4 ptmm? -68.91 -20.91 64.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.728 -0.669 . . . . 72.22 111.625 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.33 -16.55 45.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.44 -0.345 . . . . 71.43 111.218 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -111.68 -14.75 13.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.75 0.309 . . . . 73.54 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.56 158.71 26.35 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.043 -0.526 . . . . 61.25 110.901 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.6 t -154.66 167.51 29.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.2 -0.455 . . . . 70.44 109.85 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.2 -52.05 66.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.071 0.548 . . . . 53.35 112.476 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.72 -29.5 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 112.344 0.498 . . . . 61.43 112.344 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.46 -25.42 68.0 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.687 0.28 . . . . 75.11 111.406 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.18 -25.83 68.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.429 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -70.32 -16.78 63.04 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.299 -0.41 . . . . 74.14 111.759 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 71.7 m-85 -84.25 -31.14 25.15 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.61 0.226 . . . . 73.33 111.61 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 99' ' ' ARG . 2.4 m-20 66.18 0.96 1.81 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.993 0.517 . . . . 74.43 111.974 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.89 118.46 10.97 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.156 0.582 . . . . 62.11 109.672 177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.6 mm -118.81 118.18 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 55.02 110.083 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 96' ' ' VAL . 57.3 t -114.75 114.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 75.41 109.659 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.39 120.23 6.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.67 -0.776 . . . . 60.34 111.638 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.75 131.8 52.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.291 -0.263 . . . . 72.01 110.291 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.06 -37.89 37.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.602 -0.888 . . . . 73.12 108.602 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.04 -87.01 0.01 OUTLIER Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.341 -0.845 . . . . 43.43 112.859 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -104.07 -26.76 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.821 0.344 . . . . 74.45 110.337 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.49 -28.0 0.49 Allowed Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.839 -0.619 . . . . 51.24 111.592 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.83 101.82 11.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 74.12 110.483 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.87 117.14 8.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.844 -0.617 . . . . 73.11 110.093 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -129.7 145.06 51.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.545 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.11 118.97 37.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.227 -0.442 . . . . 45.44 110.633 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -106.41 135.45 47.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.55 -0.75 . . . . 70.53 109.42 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.64 146.12 17.97 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.792 -0.718 . . . . 62.44 112.191 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.501 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 71.8 m-85 -141.57 163.69 32.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.521 -0.548 . . . . 63.31 109.521 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.62 163.89 12.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.986 -0.376 . . . . 70.04 109.986 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.84 119.72 12.99 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.291 -0.633 . . . . 73.35 109.291 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.518 ' HB2' HG23 ' A' ' 77' ' ' ILE . 35.2 t70 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.742 -0.663 . . . . 72.34 110.901 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.068 0.461 . . . . 72.4 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.5 102.68 10.77 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.13 -0.486 . . . . 73.11 111.096 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 66' ' ' ASP . 69.7 mt -82.51 133.87 28.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.145 -0.48 . . . . 72.41 109.932 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -55.92 5.31 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.565 -0.289 . . . . 72.41 111.148 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -60.2 -21.43 61.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.851 0.358 . . . . 73.41 111.219 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' H ' HG22 ' A' ' 77' ' ' ILE . 60.5 tp -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.126 -0.488 . . . . 72.45 110.702 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.92 -47.41 85.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.388 0.613 . . . . 71.33 110.267 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -71.1 -31.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.078 -0.965 . . . . 71.34 110.838 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.11 -52.87 52.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 72.45 110.615 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.83 -38.32 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.368 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.605 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 50.8 t80 -50.49 -46.29 56.88 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.779 -0.646 . . . . 74.03 111.244 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.72 -28.79 69.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.38 -0.373 . . . . 63.32 111.727 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -118.0 -94.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.251 0.463 . . . . 71.43 112.251 -172.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.0 t -95.29 49.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 72.12 111.187 -168.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 85' ' ' TYR . 10.0 p30 -69.24 -35.19 75.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.597 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -170.1 144.56 2.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.298 -0.41 . . . . 71.21 109.984 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 -5.42 44.68 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.44 -0.409 . . . . 75.05 112.337 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 p -148.79 -163.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.13 -0.693 . . . . 70.54 109.13 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . -133.08 154.55 50.46 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.78 0.324 . . . . 74.25 111.327 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -155.03 164.2 39.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.751 -0.659 . . . . 73.42 109.436 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.86 155.05 43.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.612 0.244 . . . . 74.54 111.071 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 36.1 t -132.07 125.56 54.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 116.02 -0.536 . . . . 54.32 109.961 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -119.1 144.46 46.6 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.068 -0.515 . . . . 74.32 109.899 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -115.7 142.82 46.24 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.974 -0.38 . . . . 73.43 109.974 174.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.568 ' HB2' ' HA ' ' A' ' 47' ' ' ASP . 1.4 tmt_? -79.31 108.2 12.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 70.33 110.292 -176.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 21' ' ' GLU . 39.8 mm -75.75 135.38 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.731 -0.47 . . . . 75.34 109.731 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.66 77.37 8.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.452 0.538 . . . . 60.15 112.452 -169.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 78.0 tttt -174.81 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.835 -0.62 . . . . 70.03 111.243 168.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 19' ' ' GLU . 3.3 tm? . . . . . 0 N--CA 1.471 0.598 0 O-C-N 124.148 0.905 . . . . 71.52 109.552 -171.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 111.758 -0.537 . . . . 72.31 111.758 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' HG2' HG13 ' A' ' 11' ' ' ILE . 37.0 tt0 -167.49 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.132 -0.692 . . . . 60.02 109.132 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 22' ' ' LEU . 62.4 mt -125.34 112.39 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 73.44 109.29 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.36 131.13 54.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 64.54 110.266 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 97' ' ' LEU . 25.2 mm -117.57 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 52.03 110.247 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.78 115.1 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 62.33 110.108 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 16' ' ' GLN . 9.3 tt -150.47 139.67 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.41 -0.359 . . . . 61.14 110.781 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.8 mm100 55.27 40.01 31.47 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.402 0.439 . . . . 74.22 111.609 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 64.11 15.62 9.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.904 -0.589 . . . . 74.31 110.88 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.16 126.8 55.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 61.14 109.71 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.657 ' H ' ' NH1' ' A' ' 99' ' ' ARG . 43.1 tt0 -104.12 128.13 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.065 -0.516 . . . . 74.43 110.038 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' LYS . 96.7 m-85 -131.85 161.9 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 74.52 110.714 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -129.86 135.32 48.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.28 -0.637 . . . . 75.21 109.28 170.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 11' ' ' ILE . 64.1 tp -73.86 100.49 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.703 -0.48 . . . . 63.12 109.703 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.91 -26.42 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.044 -0.525 . . . . 64.01 111.97 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -146.84 135.11 21.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 75.22 110.999 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -130.73 141.54 50.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.985 -0.746 . . . . 61.42 108.985 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -132.85 115.61 15.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.865 -0.42 . . . . 73.11 109.865 -176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 59.87 28.28 17.75 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.486 0.491 . . . . 74.12 111.083 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.0 t70 58.34 31.91 21.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.751 -0.659 . . . . 64.21 110.76 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.1 -4.76 30.25 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.795 -0.639 . . . . 74.25 113.061 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -72.84 113.1 9.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 75.44 110.944 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -135.91 102.17 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.605 -0.887 . . . . 53.42 108.605 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.05 -41.88 88.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.956 -0.565 . . . . 71.33 112.064 -168.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -55.15 -41.77 72.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.962 0.411 . . . . 71.02 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.58 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.548 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.35 -59.54 4.56 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.949 -0.569 . . . . 75.11 110.643 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -61.1 -30.31 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 74.1 111.249 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.7 76.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.255 -0.429 . . . . 74.42 110.995 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -103.05 5.79 38.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.348 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 60' ' ' LEU . 72.9 t80 -78.99 151.75 31.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.265 0.555 . . . . 72.41 111.17 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -142.13 147.23 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.424 -0.807 . . . . 55.24 109.398 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.99 -27.58 68.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.07 0.462 . . . . 75.05 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.67 -25.44 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.984 -0.553 . . . . 65.52 111.071 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' A' ' 49' ' ' ILE . 90.7 mt -71.24 -22.88 61.93 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.744 -174.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.24 -21.95 50.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.025 0.44 . . . . 72.11 111.015 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -63.71 -31.91 73.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.481 -0.781 . . . . 75.12 112.365 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.9 m-85 -86.42 -23.49 26.05 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.82 0.674 . . . . 62.22 112.82 -167.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 70.73 -0.69 2.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.269 0.627 . . . . 64.11 112.05 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -148.31 119.56 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.749 0.309 . . . . 73.54 110.385 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 43' ' ' LEU . 23.9 mm -115.95 116.21 51.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.028 -0.533 . . . . 70.01 110.037 -178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 96' ' ' VAL . 60.3 t -113.92 113.66 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.539 -0.301 . . . . 51.13 110.209 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.552 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.91 121.66 7.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.88 -0.676 . . . . 51.43 111.798 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.25 155.71 21.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.011 0.434 . . . . 75.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.51 38.75 2.37 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.597 -0.728 . . . . 71.22 110.276 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.63 -62.73 5.91 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.978 -0.556 . . . . 72.15 112.806 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -80.63 -39.24 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 75.02 110.268 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.94 -49.61 0.72 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.328 -1.109 . . . . 64.12 110.328 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.99 116.63 5.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.939 -0.763 . . . . 71.32 108.939 170.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.2 109.58 0.69 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 53.21 109.311 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 92.8 mtt180 -101.09 130.15 47.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.26 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 39' ' ' TYR . 88.7 mt -97.56 109.72 22.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 72.21 110.14 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.2 tmtt? -97.43 127.94 43.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.734 -0.839 . . . . 65.31 108.734 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.563 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -91.14 123.37 7.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.207 -0.52 . . . . 52.23 112.141 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 88.2 m-85 -116.13 156.13 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.638 0.256 . . . . 72.34 110.452 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -102.82 159.29 15.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.122 -0.695 . . . . 75.45 109.122 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.92 130.99 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.766 0.317 . . . . 74.43 110.809 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 109.772 -0.455 . . . . 72.34 109.772 175.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.141 0.496 . . . . 71.24 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -102.13 109.63 21.38 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.891 -0.595 . . . . 72.22 111.132 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.07 116.94 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.575 -0.898 . . . . 63.43 108.575 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 t -65.75 -52.83 47.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 72.32 110.967 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -63.92 -24.31 67.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 71.02 110.845 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.8 tp -63.73 -47.47 80.93 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.292 -0.413 . . . . 63.41 110.777 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.7 -41.69 70.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.296 0.57 . . . . 72.04 109.964 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.11 -49.03 66.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.3 -0.864 . . . . 70.42 109.914 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -51.74 -42.18 62.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.96 -1.018 . . . . 73.33 111.389 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -63.06 -45.95 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 71.34 110.888 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.26 -25.44 68.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.892 0.377 . . . . 74.33 110.931 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.33 -62.2 1.52 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 75.54 110.465 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -80.83 -53.73 6.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.631 -0.713 . . . . 72.33 111.693 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.86 78.05 1.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 54.14 111.01 -173.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.02 -42.91 7.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.642 -0.708 . . . . 60.42 110.162 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -89.48 -173.81 4.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.47 -0.786 . . . . 72.03 109.512 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.12 82.38 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.443 -0.408 . . . . 70.42 113.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.1 -172.88 2.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.904 0.482 . . . . 72.45 109.943 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.92 44.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.683 0.278 . . . . 75.32 111.744 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -165.38 177.67 7.36 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.599 -0.728 . . . . 64.42 109.699 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -155.1 155.86 34.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.45 -0.341 . . . . 71.15 110.359 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 50' ' ' VAL . 40.3 t -128.08 125.86 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 123.256 0.348 . . . . 70.12 111.074 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -109.48 145.87 35.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.334 -0.394 . . . . 72.22 110.668 176.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 84.0 tttt -116.59 129.14 56.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.794 -0.639 . . . . 52.12 110.415 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.657 ' NH1' ' H ' ' A' ' 19' ' ' GLU . 12.7 tpt85 -76.68 111.46 12.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.071 0.463 . . . . 53.51 111.66 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.411 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 26.1 mm -90.37 112.88 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.653 -0.869 . . . . 64.03 108.653 172.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -78.62 61.34 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 73.12 112.018 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -131.24 -69.57 0.62 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.943 -0.572 . . . . 73.04 109.765 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? . . . . . 0 N--CA 1.468 0.474 0 O-C-N 123.599 0.562 . . . . 71.0 110.434 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 110.639 -0.985 . . . . 74.25 110.639 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -162.75 -63.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.049 0.425 . . . . 61.35 110.175 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -118.67 93.55 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 72.02 110.554 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -106.64 124.75 50.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 74.43 110.165 178.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm -105.03 100.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.478 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -90.66 110.85 22.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.83 -0.433 . . . . 62.54 109.83 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -133.11 114.02 20.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.962 0.411 . . . . 72.31 111.318 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 53.73 57.03 6.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.586 -0.734 . . . . 72.44 111.294 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 m120 66.71 2.45 2.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.541 -0.754 . . . . 61.03 112.325 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.51 108.44 19.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 73.41 109.9 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.8 119.4 31.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.92 0.39 . . . . 72.52 110.379 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.78 172.06 7.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.08 -0.711 . . . . 73.14 109.08 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -140.62 150.62 43.81 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.818 -0.438 . . . . 73.14 109.818 168.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 52.8 tp -77.49 100.2 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.927 -0.579 . . . . 64.23 109.621 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' THR . 32.7 m -90.49 -17.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 73.12 111.038 -177.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 32.2 t60 -156.7 133.44 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 63.13 110.471 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.47 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.3 t30 -140.69 135.51 31.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.34 -0.615 . . . . 74.05 109.34 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -124.15 116.3 22.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.445 -0.205 . . . . 72.12 110.445 -173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 57.97 25.92 12.8 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.153 0.502 . . . . 62.21 110.286 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 25' ' ' ASN . 3.4 m-20 51.57 44.81 28.87 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.083 -0.962 . . . . 74.53 111.108 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.91 -12.41 62.36 Favored Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.667 -0.697 . . . . 72.23 111.817 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 79.7 t80 -62.38 99.75 0.15 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.89 0.376 . . . . 75.14 111.166 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -110.24 101.6 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.58 -0.896 . . . . 73.12 108.58 170.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.31 -45.25 94.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.661 -0.245 . . . . 70.13 110.706 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.09 -36.53 68.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.198 -0.456 . . . . 73.45 111.044 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -77.0 -42.1 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.341 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.22 -57.14 13.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.938 -0.574 . . . . 62.51 110.961 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -65.34 -17.73 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.686 . . . . 71.54 110.984 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.05 -26.3 31.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 19.8 mmt180 -101.24 -8.1 22.47 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.694 0.257 . . . . 71.44 111.694 -176.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.04 140.97 57.72 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.663 -0.244 . . . . 75.15 110.85 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.406 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 t -141.46 163.67 32.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.017 -0.538 . . . . 54.14 109.854 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.89 -49.24 76.15 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.311 -0.404 . . . . 52.11 111.3 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 5.7 tp -51.43 -34.22 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.031 -0.532 . . . . 72.11 112.089 -176.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 49' ' ' ILE . 81.0 mt -64.98 -27.58 68.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 75.11 111.752 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.18 -32.12 73.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.507 0.558 . . . . 65.2 112.507 -172.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.0 ptpp? -78.91 -12.12 60.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.995 0.368 . . . . 71.15 111.995 -175.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.478 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 81.7 m-85 -80.85 -40.82 24.2 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.902 0.382 . . . . 72.51 110.454 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 70.3 m-20 71.36 2.96 4.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.242 -0.89 . . . . 71.13 111.751 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 65' ' ' ASP . 46.9 m-85 -132.44 114.8 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.204 -0.665 . . . . 72.5 109.204 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.4 mm -116.2 114.0 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.694 -0.484 . . . . 63.35 109.694 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 96' ' ' VAL . 62.0 t -111.95 108.42 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.289 -0.414 . . . . 74.33 109.9 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -93.99 120.23 6.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.559 -0.829 . . . . 63.33 111.427 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.4 146.52 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 72.12 110.373 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.402 ' CZ2' HD12 ' A' ' 58' ' ' LEU . 69.7 m95 -97.44 35.74 1.59 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 61.41 109.959 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -63.1 133.29 42.98 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.729 -0.669 . . . . 60.55 111.991 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 74.3 t80 74.54 -59.72 0.54 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.953 0.501 . . . . 73.23 110.458 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.86 -33.18 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.215 -0.517 . . . . 63.41 112.298 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.82 137.78 32.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.306 . . . . 52.33 110.681 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.402 HD12 ' CZ2' ' A' ' 53' ' ' TRP . 6.2 tt -75.45 108.55 8.33 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.312 -0.625 . . . . 65.32 109.312 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.532 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 41.1 ttm180 -99.98 129.2 46.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 74.21 110.615 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt -94.96 103.33 15.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.76 -0.459 . . . . 54.24 109.76 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.35 122.7 40.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.752 -0.658 . . . . 74.35 109.966 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.09 140.93 15.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.192 -0.528 . . . . 73.1 111.817 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -131.04 163.47 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 73.12 111.231 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -104.5 138.24 41.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.67 -0.863 . . . . 72.52 108.67 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 44.1 t0 -68.78 144.5 54.32 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.209 0.318 . . . . 74.35 111.003 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.145 -0.317 . . . . 72.2 110.145 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 23' ' ' VAL . 23.2 p . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.799 0.333 . . . . 72.33 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -136.05 117.85 15.11 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.349 -0.387 . . . . 75.21 110.499 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 64.2 mt -124.64 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 53.11 109.194 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 t -67.97 -49.55 61.02 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.568 0.223 . . . . 75.13 110.859 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.2 t -60.93 -27.87 68.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.202 0.525 . . . . 64.12 110.241 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 50' ' ' VAL . 40.3 tp -77.61 -41.13 39.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.954 -0.566 . . . . 54.14 110.309 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.27 -38.7 71.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.644 -0.707 . . . . 63.15 110.285 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.04 -40.38 60.43 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.785 -0.643 . . . . 64.54 110.538 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.39 -41.89 85.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.755 -0.657 . . . . 71.14 111.352 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.57 -38.03 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 74.35 110.706 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -61.99 -26.45 68.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.767 -0.651 . . . . 75.33 110.759 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.85 -43.02 89.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 74.33 111.65 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -100.06 -47.39 5.01 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.989 0.423 . . . . 72.11 111.885 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 33.9 t -76.65 85.5 3.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.303 0.573 . . . . 61.11 111.818 -168.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -92.43 -57.47 2.68 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.881 -0.785 . . . . 64.01 108.881 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -164.1 143.98 8.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.344 -0.844 . . . . 73.35 109.345 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.94 79.89 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.495 -0.642 . . . . 64.43 111.495 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -84.79 161.55 19.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 72.31 111.204 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.59 142.73 15.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.633 -0.712 . . . . 64.12 109.554 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -165.38 175.46 9.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.678 0.275 . . . . 71.05 110.584 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 36.7 p90 -151.93 144.91 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 74.43 110.54 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.483 HG13 HG22 ' A' ' 50' ' ' VAL . 42.7 t -121.19 117.4 52.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 116.589 -0.278 . . . . 65.11 110.768 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.1 128.38 53.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.237 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -108.59 138.18 45.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 73.23 110.403 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.6 135.26 51.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 64.43 110.854 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 21' ' ' GLU . 31.7 mm -105.29 140.82 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.895 -0.78 . . . . 64.41 108.895 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 102' ' ' LYS . 93.1 mtt180 -81.25 72.05 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 73.13 112.117 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER 173.31 179.76 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.939 -1.028 . . . . 74.21 108.664 168.552 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.173 -1.047 . . . . 74.15 108.173 173.694 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 111.564 -0.614 . . . . 64.43 111.564 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' ILE . 39.2 tt0 -140.44 -53.29 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.103 0.451 . . . . 70.34 110.47 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.475 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.4 mt -131.08 101.25 5.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.07 0.462 . . . . 53.52 110.192 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.61 115.62 30.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.434 -0.803 . . . . 73.41 110.166 -178.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.501 HG13 HD21 ' A' ' 97' ' ' LEU . 36.4 mm -104.35 107.56 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 63.13 110.755 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.36 116.78 29.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.5 tt -150.41 144.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 74.43 111.23 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.597 ' HG2' HG12 ' A' ' 15' ' ' ILE . 30.3 mm-40 51.16 36.93 16.94 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.119 0.568 . . . . 72.34 111.925 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 62.0 38.61 14.05 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.811 -0.631 . . . . 73.05 111.059 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.01 137.44 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.774 -0.648 . . . . 73.43 109.36 173.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.03 127.63 50.21 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.879 0.371 . . . . 60.31 110.247 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -119.63 162.68 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 72.23 109.646 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -135.84 146.1 47.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.911 -0.403 . . . . 74.44 109.911 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 11' ' ' ILE . 61.6 tp -74.17 111.49 9.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.869 -0.419 . . . . 72.54 109.869 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.56 -9.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 61.44 111.726 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -168.47 137.52 2.31 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.289 -0.164 . . . . 74.03 111.155 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.474 HD22 ' HB3' ' A' ' 95' ' ' PHE . 24.0 t-20 -144.16 153.08 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 62.51 110.456 176.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 17.6 t80 -136.12 133.51 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.22 109.905 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 10.8 mmpt? 58.41 26.28 13.93 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.753 0.658 . . . . 75.31 111.585 175.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 61.4 27.8 17.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.09 -0.505 . . . . 54.11 110.983 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.61 3.95 5.76 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 116.168 -0.469 . . . . 73.52 113.921 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -83.26 112.13 19.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.459 0.63 . . . . 71.32 110.431 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.479 ' ND2' ' HG2' ' A' ' 33' ' ' GLU . 3.7 t-20 -130.38 98.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.822 -0.807 . . . . 73.34 108.822 177.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 23.1 tt0 -54.9 -45.24 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.336 -0.393 . . . . 51.02 111.373 -172.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' ND2' ' A' ' 31' ' ' ASN . 13.0 pt-20 -55.2 -37.07 66.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.503 -0.317 . . . . 63.44 110.901 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -74.93 -45.69 40.83 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.18 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.62 -55.77 22.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 72.11 110.702 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.1 ptmt -68.62 -18.98 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 65.53 111.271 -175.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.07 -35.68 49.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 75.34 110.887 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 32.5 mmt180 -95.7 -19.48 19.66 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.143 -0.481 . . . . 74.03 111.113 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -67.13 147.41 53.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.449 -0.341 . . . . 73.53 110.905 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB3' HG22 ' A' ' 42' ' ' ILE . 46.4 t -148.1 168.51 22.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.049 -0.523 . . . . 71.32 110.185 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.6 -24.93 66.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 72.4 110.504 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 40' ' ' SER . 9.4 tp -61.35 -25.7 37.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 115.811 -0.631 . . . . 72.41 110.952 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 92.0 mt -93.36 -12.17 30.56 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.92 -0.582 . . . . 63.23 111.545 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -64.52 -21.74 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.399 -0.364 . . . . 74.13 111.75 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -80.16 -12.88 59.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.294 0.479 . . . . 70.15 112.294 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 71.0 m-85 -78.93 -34.57 44.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.934 0.346 . . . . 72.32 111.934 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.9 m-20 67.78 0.63 2.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.889 0.476 . . . . 73.14 111.365 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 40.3 m-85 -144.62 115.96 8.02 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.903 0.481 . . . . 74.22 109.777 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 42.9 mm -119.62 119.11 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.942 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.12 123.79 68.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 61.15 110.347 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -119.13 128.83 7.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.218 -0.515 . . . . 71.05 111.851 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . 10.0 t70 -126.54 146.14 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 71.34 109.713 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -85.27 -36.21 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 70.32 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.35 -82.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.579 0 C-N-CA 121.206 -0.521 . . . . 51.42 111.904 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -127.54 26.04 5.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.19 0.519 . . . . 74.24 109.927 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.78 2.04 46.15 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.796 -0.638 . . . . 75.21 111.966 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -92.04 76.14 5.46 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.624 -0.51 . . . . 75.13 109.624 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.54 97.44 0.59 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.305 0.574 . . . . 75.23 110.061 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -116.7 147.46 41.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 73.51 109.799 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.8 135.15 43.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.006 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -122.33 123.96 42.61 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.002 -0.74 . . . . 62.12 109.002 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.86 140.58 17.19 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.135 -0.555 . . . . 73.2 112.429 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.2 m-85 -139.53 163.31 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.675 -0.491 . . . . 71.52 109.675 176.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.95 159.61 18.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.464 -0.939 . . . . 75.43 108.464 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 5.2 p-10 -63.83 108.29 1.42 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.408 0.623 . . . . 72.33 110.237 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 5.3 t70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.837 . . . . 73.12 111.383 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.402 HG22 ' HE1' ' A' ' 48' ' ' TYR . 14.5 p . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 113.462 0.912 . . . . 70.41 113.462 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -78.94 70.14 5.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.532 0.682 . . . . 72.35 109.635 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 66.6 mt -71.69 113.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 65.31 110.888 -176.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -53.85 -56.65 15.7 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.47 -0.332 . . . . 74.44 111.854 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -56.6 -25.95 54.23 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.864 0.364 . . . . 71.22 111.127 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -77.14 -42.18 38.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.204 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.24 -42.05 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.204 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 43.9 mt-10 -61.89 -42.04 98.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.417 -0.81 . . . . 53.01 110.214 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -49.48 77.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.879 -0.6 . . . . 61.44 110.079 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -58.33 -38.11 67.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.709 . . . . 72.23 110.556 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.13 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 74.15 111.072 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mt-10 -73.76 -59.77 2.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.98 0.419 . . . . 75.02 111.207 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.22 -49.7 7.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 65.43 111.841 -170.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 48.9 t -80.06 74.21 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.307 0.575 . . . . 75.31 110.327 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -83.13 -53.75 5.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 74.44 110.163 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -164.25 148.16 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.671 -0.695 . . . . 63.32 109.299 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.19 71.45 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.942 -0.647 . . . . 32.45 112.401 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -92.09 163.93 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.548 0.339 . . . . 75.32 110.12 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -154.92 99.14 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.021 -0.363 . . . . 63.14 110.021 -176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 51.6 p90 -118.81 163.13 17.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.068 0.461 . . . . 70.12 111.196 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' ASN . 51.5 p90 -142.01 146.15 35.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.623 -0.717 . . . . 71.22 109.859 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.12 117.9 55.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.648 0.261 . . . . 74.45 110.456 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.501 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -103.84 132.27 50.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 72.25 110.282 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -107.43 128.74 54.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.428 -0.582 . . . . 73.13 109.428 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -78.64 126.74 31.16 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.338 -0.616 . . . . 71.34 109.338 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.06 -57.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.097 -0.501 . . . . 40.02 110.84 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG2' ' HG3' ' A' ' 102' ' ' LYS . 36.2 ttp-105 176.49 -53.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 73.03 109.62 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HG3' ' HG2' ' A' ' 101' ' ' ARG . 68.1 mttm -142.25 -167.46 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.342 -0.845 . . . . 73.42 109.536 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.511 -0.922 . . . . 64.42 108.511 174.831 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 110.549 -1.021 . . . . 74.31 110.549 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.39 -63.95 1.0 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.272 0.536 . . . . 74.53 110.016 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -136.54 87.65 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.749 -0.659 . . . . 71.14 109.47 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.42 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -84.4 122.44 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.346 -0.843 . . . . 71.55 110.167 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.543 HG13 HD21 ' A' ' 97' ' ' LEU . 36.1 mm -106.96 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.093 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 14' ' ' LEU . 7.1 mp -91.67 112.52 24.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.009 -0.367 . . . . 61.22 110.009 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.8 tt -143.97 139.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 72.12 110.063 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.549 ' HG2' HG12 ' A' ' 15' ' ' ILE . 29.1 mm-40 57.14 29.09 16.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.396 -0.365 . . . . 74.12 111.063 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 62.29 32.62 16.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.442 0.639 . . . . 74.43 110.918 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -130.67 126.63 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.284 -0.871 . . . . 61.5 108.854 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HB2' HD13 ' A' ' 103' ' ' LEU . 34.3 tt0 -90.83 130.48 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 64.43 110.092 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -121.72 171.64 8.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.534 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.1 pt-20 -145.25 147.81 32.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.881 0.372 . . . . 71.44 110.161 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.02 108.2 5.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 51.44 109.39 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 75' ' ' THR . 35.0 m -101.09 -25.48 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.107 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 20.0 t60 -147.84 132.86 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.617 -0.512 . . . . 64.03 109.617 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 28' ' ' ASP . 45.0 t30 -142.09 143.61 33.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.667 -0.494 . . . . 74.31 109.667 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 43.0 t80 -131.95 118.43 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 74.0 110.596 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 18.2 ttmm 64.69 23.69 12.81 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.154 -0.93 . . . . 73.33 110.652 172.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.461 ' HA ' HD21 ' A' ' 25' ' ' ASN . 35.1 m-20 61.73 29.39 18.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.237 -0.892 . . . . 71.53 110.657 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.65 -11.86 60.77 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.796 -0.638 . . . . 41.55 112.328 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.3 120.85 13.52 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.037 0.446 . . . . 71.24 111.154 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.688 HD21 ' HZ2' ' A' ' 53' ' ' TRP . 3.3 p30 -147.91 103.38 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 75.43 110.349 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 35' ' ' PHE . 35.0 tt0 -55.13 -37.61 67.14 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.911 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.01 -46.24 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.897 -0.592 . . . . 73.14 111.633 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.61 -37.95 41.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 63.34 110.418 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . 57.8 t80 -52.88 -61.41 2.31 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.151 -0.931 . . . . 73.21 111.194 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.8 -30.92 71.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.882 -0.599 . . . . 51.15 111.026 -175.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.6 68.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.289 -0.414 . . . . 55.33 111.337 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 mmp_? -115.29 6.79 15.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.599 -0.273 . . . . 72.52 111.265 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -68.66 133.58 48.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.914 0.387 . . . . 74.2 110.936 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.9 t -123.01 149.75 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 75.24 109.882 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.98 -34.29 77.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.01 -0.541 . . . . 54.11 111.459 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 tp -56.32 -34.63 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.166 0.507 . . . . 74.44 110.677 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB3' HD12 ' A' ' 49' ' ' ILE . 77.9 mt -69.05 -32.67 72.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.775 -0.648 . . . . 72.12 111.11 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.02 -33.19 68.69 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.887 -0.597 . . . . 74.21 111.252 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 5.4 tmmm? -70.65 -22.65 62.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.654 -0.703 . . . . 72.43 111.62 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.2 m-85 -76.1 -22.16 55.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.581 0.229 . . . . 72.44 111.478 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 46.8 m-20 71.01 1.23 3.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.121 0.568 . . . . 74.45 111.631 -177.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -139.4 118.29 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 71.5 110.222 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.9 mm -110.82 113.88 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.386 -0.598 . . . . 74.42 109.386 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.08 113.93 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.878 -0.416 . . . . 71.32 109.878 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.71 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.973 -0.851 . . . . 73.13 110.973 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.98 154.6 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 73.3 110.227 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.688 ' HZ2' HD21 ' A' ' 31' ' ' ASN . 80.4 m95 -105.02 4.09 31.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.606 . . . . 72.23 110.169 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.99 -21.5 65.48 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.456 -0.402 . . . . 53.4 112.386 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.03 -13.02 43.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.665 0.386 . . . . 64.33 110.612 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.08 -46.42 1.17 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.635 -0.986 . . . . 51.1 110.635 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -115.99 171.49 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.894 -0.78 . . . . 61.03 108.894 172.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.66 101.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.245 -0.65 . . . . 65.22 109.245 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -111.4 137.99 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.864 -0.607 . . . . 72.51 110.812 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.56 133.1 49.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.117 -0.697 . . . . 52.21 109.117 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 4.4 tmtm? -127.42 132.62 50.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.698 -0.852 . . . . 71.23 108.698 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -98.38 131.75 10.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.289 -0.481 . . . . 74.51 112.157 -178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.4 m-85 -123.5 166.55 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.394 -0.595 . . . . 74.42 109.394 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.8 154.02 19.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.843 -0.428 . . . . 73.33 109.843 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.76 108.63 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.611 0.57 . . . . 54.24 109.603 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 16.5 t70 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.562 -0.745 . . . . 74.04 110.725 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.417 HG21 HG11 ' A' ' 23' ' ' VAL . 25.6 p . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.377 0.608 . . . . 64.3 111.077 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -140.44 138.14 34.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.593 -0.731 . . . . 72.32 109.525 176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 63.2 mt -125.73 116.32 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.624 -0.51 . . . . 50.55 109.624 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.1 t -57.23 -52.57 64.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 73.53 111.097 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -62.14 -22.96 66.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 62.42 110.926 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 84' ' ' ILE . 55.3 tp -74.74 -41.05 60.84 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.542 -0.299 . . . . 61.41 110.214 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.05 -36.64 65.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.506 0.67 . . . . 71.01 109.642 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.32 -40.46 44.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.205 -0.907 . . . . 63.44 110.293 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.01 -42.68 69.35 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.388 -0.823 . . . . 64.44 110.946 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 80' ' ' LEU . 48.5 mm -58.11 -42.75 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.929 -0.578 . . . . 65.14 110.807 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -62.51 -41.36 98.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.897 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.17 -42.59 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 54.11 111.165 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -97.18 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 65.54 112.292 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.2 t -74.23 -17.35 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 73.11 110.9 -173.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 47.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.059 0.763 . . . . 65.44 113.059 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.8 -10.77 59.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.876 0.37 . . . . 64.34 111.432 -169.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.06 55.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.413 -0.675 . . . . 60.04 111.413 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.749 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 22.5 p -62.84 -79.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.852 0.461 . . . . 65.32 111.35 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -179.48 142.23 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.888 -0.412 . . . . 53.13 109.888 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -167.3 168.22 13.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.374 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -147.58 148.65 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 71.23 110.252 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 48.6 t -125.88 123.44 64.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.83 0.348 . . . . 65.14 110.561 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.543 HD21 HG13 ' A' ' 13' ' ' ILE . 10.8 mp -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 45.14 110.119 176.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -107.73 139.32 42.47 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.914 -0.402 . . . . 73.53 109.914 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 100' ' ' ILE . 3.6 tmm_? -75.48 120.24 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.334 -0.617 . . . . 63.24 109.334 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.534 HD11 ' HG2' ' A' ' 21' ' ' GLU . 41.4 mm -71.28 150.02 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 72.22 110.901 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -41.47 -40.54 1.82 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 73.22 111.778 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -174.69 -178.35 1.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.925 -0.58 . . . . 72.54 109.488 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 19' ' ' GLU . 3.7 mm? . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.942 0.401 . . . . 74.43 110.644 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 111.031 -0.827 . . . . 31.21 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.72 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 74.25 109.858 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 22' ' ' LEU . 64.9 mt -128.01 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 73.21 109.498 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -90.13 119.83 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.577 -0.738 . . . . 64.41 110.661 -177.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -107.54 105.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 71.52 110.029 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.18 120.79 41.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.114 -0.328 . . . . 73.51 110.114 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.561 HG12 ' HG2' ' A' ' 16' ' ' GLN . 14.2 tt -147.43 142.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 74.42 110.107 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.3 mm100 56.51 24.39 8.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.645 0.378 . . . . 72.21 111.055 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' O ' HD21 ' A' ' 103' ' ' LEU . 20.3 m120 62.09 52.12 3.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.784 0.802 . . . . 75.31 109.957 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 44' ' ' ASN . . . -138.94 117.96 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -1.218 . . . . 44.1 108.513 171.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 67.1 tt0 -90.77 114.72 27.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.44 -0.345 . . . . 71.23 110.842 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.52 171.2 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 75.21 109.702 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -142.31 150.59 41.01 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.974 -0.38 . . . . 74.23 109.974 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 11' ' ' ILE . 59.0 tp -77.66 109.3 11.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.604 -0.517 . . . . 74.55 109.604 176.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.03 -20.13 5.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.659 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.4 t60 -150.75 132.67 15.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.689 0.28 . . . . 75.43 110.737 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -132.95 146.44 51.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.756 -0.831 . . . . 74.23 108.756 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.55 114.86 11.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.514 -0.55 . . . . 72.25 109.514 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 60.18 28.19 17.74 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.475 0.484 . . . . 42.44 110.992 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 58.69 34.63 23.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.973 -0.558 . . . . 72.14 110.796 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -13.86 64.31 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.382 -0.826 . . . . 75.41 112.542 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.15 119.87 10.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.872 0.368 . . . . 71.05 110.541 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -138.2 107.79 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.989 -0.745 . . . . 71.04 108.989 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -69.19 -47.23 65.45 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.338 0.399 . . . . 74.14 111.651 -171.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.11 -44.64 96.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.617 0.246 . . . . 45.43 110.716 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.3 66.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 70.03 110.677 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.14 -60.65 3.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 74.34 110.401 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -69.18 -20.24 64.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 71.33 110.947 -175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.72 -29.14 62.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.4 . . . . 60.4 110.732 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -101.17 -9.99 20.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.395 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.494 ' HA ' HD23 ' A' ' 60' ' ' LEU . 68.6 t80 -66.44 124.8 23.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 73.42 111.066 -177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -119.68 152.6 36.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 72.42 109.119 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.853 0.316 . . . . 64.52 111.853 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 tp -57.76 -31.06 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.995 0.426 . . . . 52.35 111.145 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 86.8 mt -76.58 -15.63 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.314 -176.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.544 HD21 ' HB2' ' A' ' 18' ' ' ALA . 28.5 t-20 -68.17 -22.84 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.85 -175.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 19.1 ptpt -87.02 -4.4 59.17 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.706 0.261 . . . . 74.24 111.706 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.627 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 79.6 m-85 -88.31 -39.1 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.688 0.28 . . . . 74.54 110.755 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 73.01 1.69 4.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.666 -0.697 . . . . 63.22 111.627 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -136.56 115.88 12.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 72.42 109.062 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 43' ' ' LEU . 15.5 mm -115.35 121.27 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 74.51 110.293 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.22 120.67 59.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.134 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.17 121.7 6.98 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.831 -0.699 . . . . 42.51 111.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -109.73 135.81 50.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.894 0.378 . . . . 71.44 110.592 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.68 34.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.971 0.415 . . . . 73.44 110.302 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.74 91.95 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.741 -0.663 . . . . 72.34 113.419 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -129.43 83.5 2.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.176 0.488 . . . . 63.21 110.761 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.92 -91.76 0.05 OUTLIER Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.714 -0.675 . . . . 73.13 113.079 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -78.42 140.41 38.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.298 -0.63 . . . . 74.53 109.298 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.44 133.52 55.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.509 0.671 . . . . 73.14 110.856 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -94.38 129.32 41.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.996 -1.002 . . . . 63.03 108.352 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 39' ' ' TYR . 11.6 tp -101.43 109.43 21.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 73.02 110.191 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -105.73 158.73 16.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.341 -0.845 . . . . 52.22 109.715 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.84 146.37 16.92 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.665 -0.574 . . . . 62.15 111.665 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.73 167.07 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.787 -0.449 . . . . 74.52 109.787 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -105.51 170.06 8.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.335 . . . . 75.03 110.382 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.71 132.32 51.68 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.31 -0.405 . . . . 72.45 110.471 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 77' ' ' ILE . 35.3 t70 . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 109.378 -0.601 . . . . 64.22 109.378 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.913 0.387 . . . . 72.31 111.906 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -132.12 148.36 52.48 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.567 -0.288 . . . . 73.52 110.578 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 66' ' ' ASP . 74.6 mt -141.23 131.5 26.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.698 -0.482 . . . . 73.54 109.698 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -63.27 -57.28 10.96 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.562 -0.29 . . . . 70.14 111.158 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -58.08 -24.82 60.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.011 0.434 . . . . 52.42 110.986 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 84' ' ' ILE . 30.5 tp -70.88 -49.52 45.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.081 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.83 -39.12 65.28 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.012 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.61 -47.91 74.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.34 -0.846 . . . . 75.25 110.713 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -60.29 -36.25 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.692 -0.685 . . . . 74.14 110.949 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -63.73 -41.44 92.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.493 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.96 -27.23 63.24 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.365 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -77.1 -16.8 59.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.326 . . . . 71.35 111.347 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -132.76 -76.37 0.49 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.136 0.421 . . . . 72.33 112.136 -174.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.827 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 85.3 m -87.03 97.96 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 71.01 112.145 -171.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.56 -35.67 3.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.715 -0.675 . . . . 72.4 109.605 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -139.08 115.26 10.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.385 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.67 -42.86 2.29 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.534 -0.365 . . . . 70.43 113.031 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.827 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 51.5 t -56.1 129.77 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.153 0.581 . . . . 62.22 110.307 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 162.84 15.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 53.01 110.961 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -163.98 176.36 9.46 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.401 -0.363 . . . . 75.45 110.671 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.7 151.87 34.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.483 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 61.7 t -127.22 122.84 60.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 120.71 0.291 . . . . 74.4 111.126 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.66 135.49 48.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.956 -0.565 . . . . 75.45 110.432 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -109.49 141.45 41.92 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.273 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 37.8 tpt85 -75.93 128.37 34.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 72.4 111.087 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 102' ' ' LYS . 45.8 mm -78.34 154.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 73.03 109.857 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.67 -7.2 53.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.95 0.405 . . . . 74.44 111.107 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.693 ' H ' HG22 ' A' ' 100' ' ' ILE . 1.7 mmpt? -106.02 -167.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.312 0.577 . . . . 74.14 111.308 -177.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.579 HD21 ' O ' ' A' ' 17' ' ' ASN . 2.4 tm? . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.646 -1.242 . . . . 74.4 107.646 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 111.084 -0.806 . . . . 64.52 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.27 -63.51 1.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.887 0.375 . . . . 73.41 110.455 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 22' ' ' LEU . 63.7 mt -135.44 86.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.196 -0.668 . . . . 63.25 109.196 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.12 132.13 36.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.353 -0.84 . . . . 74.42 110.729 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 97' ' ' LEU . 29.8 mm -120.2 98.98 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 74.11 109.222 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -100.94 111.87 24.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.238 -0.437 . . . . 73.54 109.915 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.1 tt -141.21 130.04 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.331 -0.395 . . . . 63.13 110.876 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.603 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.3 mm-40 54.42 44.3 29.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.102 -0.499 . . . . 55.34 111.579 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 65.98 18.92 11.18 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.011 -0.54 . . . . 63.0 111.783 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.38 122.49 46.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.024 -0.362 . . . . 55.12 110.024 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.98 113.53 27.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 74.53 110.881 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.48 172.47 7.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.761 -0.654 . . . . 71.24 109.482 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 7.6 pt-20 -148.58 152.78 37.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.018 -0.364 . . . . 71.41 110.018 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 11' ' ' ILE . 60.7 tp -75.69 106.71 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.41 110.247 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.0 -17.69 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.4 -0.364 . . . . 72.32 111.395 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -158.85 133.74 8.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.601 -0.272 . . . . 72.24 110.838 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -131.98 151.22 51.86 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.366 -0.605 . . . . 60.3 109.366 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -137.86 121.7 17.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.207 -0.664 . . . . 75.2 109.207 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 11.4 ttmm 61.02 24.12 14.24 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.842 0.714 . . . . 65.12 110.409 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 t70 58.04 34.97 24.8 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.012 -0.994 . . . . 65.03 110.438 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.82 -13.67 61.79 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.687 -0.688 . . . . 75.45 112.679 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -64.6 120.3 12.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 73.21 111.23 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -138.62 104.47 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.964 -0.754 . . . . 74.34 108.964 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.75 -48.21 59.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.303 0.377 . . . . 73.12 110.899 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -57.14 -40.91 78.12 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.886 -0.597 . . . . 74.2 111.122 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.64 68.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.412 -0.358 . . . . 64.31 110.459 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.86 -56.87 16.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 73.13 110.52 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.66 -19.41 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 72.11 111.159 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.24 52.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 72.42 110.604 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 11.8 mmp_? -94.24 -8.29 39.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.22 -0.445 . . . . 64.45 111.238 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -64.21 150.9 44.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.247 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -153.18 165.0 37.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.124 -0.489 . . . . 64.31 109.825 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.78 -35.11 79.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.445 -0.343 . . . . 61.32 111.571 -174.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.437 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.1 tp -54.19 -33.28 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.024 0.44 . . . . 74.43 111.088 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 94.8 mt -65.96 -20.38 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.128 -0.487 . . . . 75.25 111.701 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.56 -25.39 68.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.363 -0.381 . . . . 74.31 111.749 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -75.19 -12.89 60.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.668 0.271 . . . . 74.12 111.301 -176.4 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.405 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 94.9 m-85 -91.18 -47.3 7.6 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.431 -0.349 . . . . 73.33 110.345 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 71.09 1.47 3.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.396 -0.82 . . . . 72.51 111.316 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -134.43 114.51 12.97 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.827 -0.805 . . . . 73.32 108.827 173.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 29.2 mm -118.2 119.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.09 -0.337 . . . . 60.13 110.09 -176.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 45.9 t -117.19 107.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.271 -0.422 . . . . 61.23 110.286 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -89.7 121.62 6.19 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.232 -0.747 . . . . 74.52 111.232 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.72 159.07 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 71.3 111.052 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . 70.7 m95 -123.49 30.98 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.059 -0.973 . . . . 74.12 108.756 175.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.15 -54.24 2.05 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.545 -0.752 . . . . 21.12 114.642 -170.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -124.05 37.6 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.043 0.449 . . . . 63.43 110.728 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.72 21.59 63.51 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.976 -0.556 . . . . 55.44 111.931 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -120.95 114.52 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.831 -0.433 . . . . 55.21 109.831 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.435 HD23 ' NE1' ' A' ' 53' ' ' TRP . 3.2 tm? -83.24 106.01 14.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.383 -0.599 . . . . 64.43 109.383 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 17.1 mtp180 -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 63.41 110.16 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -97.91 114.78 26.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 74.32 110.465 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -103.21 129.26 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 72.54 109.445 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.18 145.01 17.39 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 121.071 -0.585 . . . . 75.34 112.629 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -139.8 169.74 17.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.886 0.374 . . . . 53.41 110.566 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.72 155.25 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.93 -0.766 . . . . 73.52 108.93 175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.83 108.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.162 0.506 . . . . 63.44 110.357 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 109.182 -0.673 . . . . 73.42 109.182 175.414 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.1 p . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.849 0.357 . . . . 62.13 110.668 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.28 85.55 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.329 0.585 . . . . 71.33 110.777 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 71.6 mt -75.42 125.36 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.736 -0.665 . . . . 73.25 109.788 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -63.66 -40.61 97.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 53.14 110.183 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -37.34 67.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.674 -0.694 . . . . 65.14 110.487 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 84' ' ' ILE . 35.5 tp -67.44 -42.3 83.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 74.02 110.269 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.96 -27.4 69.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.631 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 44.1 mt-10 -68.97 -42.8 76.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.165 0.507 . . . . 71.23 109.694 174.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.62 -43.29 97.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.45 -0.795 . . . . 73.42 110.027 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -65.92 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.546 -0.752 . . . . 72.32 110.273 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' GLU . 12.2 t80 -55.63 -38.97 70.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.668 -0.696 . . . . 73.32 111.135 177.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -43.36 79.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.51 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.09 -56.62 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 70.41 111.829 -175.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.0 m -74.38 91.41 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 61.14 112.454 -171.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.09 -32.04 11.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.849 -0.797 . . . . 71.24 108.849 167.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -162.22 -66.69 0.05 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.439 -0.8 . . . . 71.13 110.363 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.4 103.14 3.01 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.344 -0.455 . . . . 61.02 112.389 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.66 179.74 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.963 -0.384 . . . . 64.14 109.963 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 53' ' ' TRP . . . -162.38 149.69 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.476 -0.564 . . . . 74.14 109.476 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.88 165.84 7.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.636 0.255 . . . . 75.44 110.712 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 46.8 p90 -143.6 140.87 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.326 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.46 119.38 61.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.624 0.249 . . . . 61.41 110.972 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 13' ' ' ILE . 9.6 mp -104.94 131.48 52.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.063 174.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.86 139.5 49.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 72.1 110.695 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -65.39 140.55 58.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 72.21 110.168 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 101' ' ' ARG . 44.5 mm -97.82 -82.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.623 0.231 . . . . 41.32 111.623 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.497 ' HG2' HG22 ' A' ' 100' ' ' ILE . 5.3 ptp180 -153.96 -170.53 3.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.014 0.435 . . . . 71.33 111.099 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 28.6 mmmt -65.74 127.06 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.606 -0.725 . . . . 64.35 109.563 171.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.237 0.407 0 O-C-N 123.471 0.482 . . . . 74.14 111.125 -179.165 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 110.808 -0.917 . . . . 65.4 110.808 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.56 -45.16 91.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.66 -0.496 . . . . 63.53 109.66 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 22' ' ' LEU . 58.5 mt -136.7 81.75 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.602 -0.726 . . . . 54.14 109.173 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -83.39 123.43 29.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 64.14 110.078 -179.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 HG13 HD21 ' A' ' 97' ' ' LEU . 36.8 mm -105.8 98.83 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.081 0.467 . . . . 65.53 110.475 -177.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.52 111.63 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 71.44 109.322 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.0 tt -137.77 132.41 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.356 -0.384 . . . . 73.21 110.483 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.583 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.2 mm100 56.43 33.92 23.33 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.298 -0.41 . . . . 72.12 111.143 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 66.19 27.56 10.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.957 -0.565 . . . . 75.44 110.64 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.53 141.6 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.639 . . . . 62.22 109.295 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -110.45 114.65 28.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.689 0.281 . . . . 74.11 110.822 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.39 171.12 12.84 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.131 0.572 . . . . 50.14 110.05 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG2' HD11 ' A' ' 100' ' ' ILE . 7.3 pt-20 -146.5 156.67 43.44 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.547 -0.538 . . . . 61.44 109.547 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 11' ' ' ILE . 58.3 tp -85.15 105.94 16.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.188 -0.301 . . . . 71.45 110.188 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.92 -22.76 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 74.1 111.416 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 17.3 t60 -154.73 138.98 16.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.409 -0.36 . . . . 71.31 110.901 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -139.7 153.97 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.403 -0.591 . . . . 73.43 109.403 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -148.62 131.82 16.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.12 110.821 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 62.11 25.59 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.437 -0.801 . . . . 64.51 111.338 171.188 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.3 21.96 12.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.254 -0.43 . . . . 71.23 111.085 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.0 72.0 Favored Glycine 0 C--O 1.238 0.403 0 CA-C-N 116.035 -0.53 . . . . 74.35 112.579 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HZ ' HD11 ' A' ' 13' ' ' ILE . 71.0 t80 -64.34 99.05 0.27 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.279 0.561 . . . . 72.12 111.203 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -123.6 109.21 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.69 . . . . 73.42 109.227 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -51.22 -42.09 60.73 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.857 0.361 . . . . 75.33 110.464 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.8 -39.15 65.25 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.524 -0.762 . . . . 71.32 111.396 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.32 -38.24 42.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 52.33 110.254 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.36 -56.73 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.584 -0.735 . . . . 74.51 110.764 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -66.19 -21.55 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 53.1 111.491 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.8 -18.78 42.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.799 0.333 . . . . 74.42 111.194 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -115.12 -14.38 11.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.341 -0.391 . . . . 73.11 111.375 -177.382 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.92 138.14 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.366 0.603 . . . . 71.23 111.772 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.7 m -144.65 148.32 34.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.177 -0.92 . . . . 75.42 109.153 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.65 -31.36 64.31 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.793 0.33 . . . . 74.33 111.718 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.54 -25.28 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.062 -0.517 . . . . 75.01 111.559 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.1 mt -79.05 -27.57 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.43 -0.35 . . . . 71.42 111.61 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.06 -33.11 71.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.347 -0.388 . . . . 74.44 111.822 -175.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -3.09 12.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.037 0.384 . . . . 72.01 112.037 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -90.6 -19.97 23.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.426 0.155 . . . . 74.01 111.121 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 69.74 -0.55 2.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.206 0.602 . . . . 72.12 111.286 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 70.6 m-85 -147.83 125.75 12.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.068 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.1 mm -111.62 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 71.14 109.645 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 61.6 t -118.51 112.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 71.54 110.204 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -115.2 121.92 5.45 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.664 -0.574 . . . . 31.43 111.664 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -118.74 142.91 47.25 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.888 -0.412 . . . . 64.54 109.888 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.452 ' HD1' ' O ' ' A' ' 93' ' ' ALA . 60.0 m95 -76.99 -34.22 57.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.017 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.49 -92.67 0.03 OUTLIER Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.945 -0.57 . . . . 74.14 112.139 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -93.92 -29.9 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 63.23 110.146 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.78 -36.35 0.5 Allowed Glycine 0 N--CA 1.454 -0.133 0 CA-C-N 115.919 -0.582 . . . . 71.54 112.018 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.49 90.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 72.51 110.352 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.76 113.63 2.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.333 -0.849 . . . . 74.52 110.677 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -122.3 143.33 49.68 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.089 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.1 mp -94.49 133.64 37.88 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.953 0.406 . . . . 75.24 110.486 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -131.0 138.76 49.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.052 -0.722 . . . . 75.12 109.052 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.75 147.24 18.52 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.95 -0.643 . . . . 61.52 112.285 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.0 m-85 -138.46 166.31 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.676 -0.49 . . . . 75.34 109.676 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.71 146.2 42.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.87 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HA ' HG12 ' A' ' 77' ' ' ILE . 4.7 p-10 -67.37 120.24 13.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.995 0.426 . . . . 73.33 111.216 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 . . . . . 0 C--O 1.235 0.341 0 CA-C-O 121.282 0.563 . . . . 64.51 109.648 175.525 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 98' ' ' LYS . 73.4 p . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.202 0.445 . . . . 64.24 112.202 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -96.5 117.55 31.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.005 0.431 . . . . 73.22 109.989 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 65' ' ' ASP . 59.7 mt -110.75 121.4 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.34 109.968 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -78.71 -42.57 27.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.498 -0.319 . . . . 65.35 111.108 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -66.68 -15.91 63.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.046 0.451 . . . . 71.54 110.518 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 HG11 ' A' ' 50' ' ' VAL . 37.4 tp -66.4 -41.8 88.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.732 -0.667 . . . . 65.34 110.335 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.48 -39.71 77.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.717 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 39.0 mt-10 -60.62 -50.13 74.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.711 -0.677 . . . . 75.55 110.001 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -58.68 -48.96 79.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.364 -0.835 . . . . 75.53 110.297 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 80' ' ' LEU . 51.4 mm -60.05 -41.13 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 72.05 110.539 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.28 -42.99 99.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.418 -0.355 . . . . 72.43 110.831 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 62.2 mm-40 -60.24 -32.49 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 72.31 110.683 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.96 -16.85 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 72.41 112.003 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 92' ' ' CYS . 25.9 t -154.3 119.56 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.089 0.774 . . . . 72.34 113.089 -171.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -105.79 -43.47 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.026 -1.101 . . . . 65.03 108.026 163.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -142.98 84.52 1.84 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.964 -1.017 . . . . 74.24 109.574 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.45 94.37 0.15 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.844 -0.693 . . . . 75.0 112.457 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 88' ' ' CYS . 5.7 p -175.87 168.53 3.02 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 122.602 0.361 . . . . 44.32 110.564 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' HD1' ' A' ' 53' ' ' TRP . . . -163.35 105.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.415 -0.587 . . . . 72.23 109.415 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 44.7 p90 -131.26 162.11 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 75.53 111.563 -173.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 43.8 p90 -133.78 147.51 51.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.259 -0.882 . . . . 71.21 109.792 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 42.8 t -122.94 116.91 50.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 123.277 0.36 . . . . 73.53 110.44 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.475 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -106.92 148.98 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.938 -0.574 . . . . 74.21 109.943 174.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HD2' HG22 ' A' ' 75' ' ' THR . 61.8 tttp -116.44 148.2 40.96 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.156 -0.313 . . . . 63.32 110.156 175.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -78.75 111.96 15.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.138 0.494 . . . . 73.13 110.036 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 21' ' ' GLU . 24.4 mm -73.86 172.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.827 -0.624 . . . . 74.24 110.189 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' H ' HG22 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -50.56 -75.51 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.637 0.375 . . . . 72.24 111.891 -178.304 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.32 156.34 1.21 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.972 0.415 . . . . 72.32 111.171 -178.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.302 -0.863 . . . . 71.51 111.198 -173.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 N-CA-C 111.288 -0.725 . . . . 24.11 111.288 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -125.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.999 -0.741 . . . . 65.32 108.999 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.16 89.81 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.495 -0.775 . . . . 64.54 109.316 174.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.22 134.38 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.21 -0.904 . . . . 65.04 110.378 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.559 HG13 HD21 ' A' ' 97' ' ' LEU . 35.6 mm -113.84 99.88 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.431 -0.35 . . . . 51.43 110.504 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 7.5 mp -94.61 114.16 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.142 -0.318 . . . . 75.23 110.142 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.579 HG12 ' HG2' ' A' ' 16' ' ' GLN . 12.2 tt -150.1 137.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.712 -177.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.579 ' HG2' HG12 ' A' ' 15' ' ' ILE . 32.9 mm-40 56.46 47.24 19.2 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.771 0.428 . . . . 74.23 111.52 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 m120 68.78 11.36 8.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.433 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HD3' ' A' ' 99' ' ' ARG . . . -118.43 148.97 42.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 61.24 111.288 -176.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HB2' HD23 ' A' ' 103' ' ' LEU . 39.2 tt0 -117.6 113.37 21.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.993 -0.549 . . . . 74.34 110.044 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 95.8 m-85 -111.21 171.99 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.709 0.403 . . . . 64.03 110.471 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -141.93 148.54 38.84 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 25' ' ' ASN . 63.0 tp -79.24 103.3 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 75.32 110.039 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.96 -13.56 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.564 -0.289 . . . . 74.32 111.562 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -158.67 133.13 8.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 110.409 -0.219 . . . . 62.53 110.409 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.3 t30 -142.34 148.65 38.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.85 -0.796 . . . . 73.54 108.85 175.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 4.2 t80 -151.25 124.72 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.537 -0.542 . . . . 70.2 109.537 -176.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.7 mptp? 56.96 34.48 24.95 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.562 0.539 . . . . 73.3 110.94 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 54.52 31.67 15.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.593 -0.731 . . . . 73.43 111.18 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.97 -28.35 60.75 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 111.485 -0.646 . . . . 65.12 111.485 175.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -65.46 104.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.945 0.402 . . . . 71.51 110.303 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -127.53 99.0 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.75 -0.833 . . . . 71.2 108.75 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -50.94 -43.6 60.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.941 -0.572 . . . . 71.33 112.173 -171.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.05 -44.9 83.44 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.835 0.35 . . . . 71.03 110.563 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.86 76.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.303 -0.408 . . . . 74.52 110.27 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -58.85 -61.61 2.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.686 -0.688 . . . . 61.44 110.486 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -63.62 -29.11 70.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.856 -0.611 . . . . 74.3 111.103 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.61 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 60.1 111.351 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.78 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -108.17 -0.97 20.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.673 -0.24 . . . . 75.14 111.445 -178.29 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.68 137.33 44.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 110.203 -0.295 . . . . 72.23 110.203 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -141.99 160.11 40.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.342 -0.39 . . . . 52.0 110.296 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.45 -29.66 70.91 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.889 -0.596 . . . . 75.14 111.076 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.46 -28.57 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 64.2 110.669 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 49' ' ' ILE . 70.5 mt -86.82 -21.08 26.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 72.43 110.795 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 46.1 t-20 -60.9 -27.55 68.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.637 -0.71 . . . . 74.11 110.833 -177.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -72.1 -16.37 62.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 72.34 112.051 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 87.0 m-85 -86.85 -34.96 19.3 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.886 0.699 . . . . 74.13 112.886 -172.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.498 ' CG ' HH21 ' A' ' 99' ' ' ARG . 1.9 m-20 72.93 0.32 3.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.285 0.634 . . . . 73.34 111.823 -175.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 73.9 m-85 -137.44 122.26 18.8 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.338 -0.616 . . . . 74.25 109.338 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 43' ' ' LEU . 42.5 mm -120.68 119.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.669 0.271 . . . . 71.33 110.434 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 96' ' ' VAL . 61.9 t -113.8 137.15 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 65.41 109.505 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.14 123.85 4.56 Favored Glycine 0 N--CA 1.454 -0.155 0 N-CA-C 111.482 -0.647 . . . . 71.23 111.482 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.37 151.17 37.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.984 0.421 . . . . 64.32 110.46 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -108.47 32.09 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.592 -0.731 . . . . 64.03 109.649 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.08 -57.24 11.57 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.975 -0.557 . . . . 50.24 113.238 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -92.73 21.01 5.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.894 0.378 . . . . 73.32 110.663 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.03 15.59 74.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.0 -0.619 . . . . 54.23 111.822 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -125.62 114.48 18.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.106 -0.702 . . . . 73.13 109.106 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.55 109.22 5.35 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 110.027 -0.36 . . . . 71.45 110.027 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -119.06 138.1 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 74.44 109.932 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.47 112.18 24.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.011 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.4 tmtm? -104.02 128.05 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.552 -0.907 . . . . 72.13 108.552 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.86 147.17 18.48 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.739 -0.743 . . . . 73.45 112.443 -177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.7 m-85 -134.64 163.73 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.829 -0.434 . . . . 74.03 109.829 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -104.16 159.05 16.01 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.328 -0.619 . . . . 74.54 109.328 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.79 123.95 17.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.742 -0.466 . . . . 73.32 109.742 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 30.4 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.33 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.585 HG22 ' HD2' ' A' ' 98' ' ' LYS . 35.7 p . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.937 0.399 . . . . 74.23 110.651 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -77.84 130.83 37.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.365 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.554 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 67.1 mt -128.13 111.85 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.176 -0.676 . . . . 65.43 109.176 176.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -58.8 -41.55 87.01 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.73 0.3 . . . . 75.21 111.409 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -71.59 -12.17 61.22 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.769 -0.196 . . . . 74.5 111.238 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 56.4 tp -66.04 -49.63 67.03 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.258 -0.645 . . . . 72.12 109.258 174.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.51 -46.93 66.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.265 -0.88 . . . . 61.45 109.983 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.95 -43.37 81.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.218 -0.901 . . . . 71.34 111.073 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -70.65 -48.25 55.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.007 -0.542 . . . . 71.22 110.722 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.95 -36.73 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.556 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -57.58 -31.5 66.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.779 -0.646 . . . . 73.25 110.998 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.22 -31.73 73.04 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.212 -0.449 . . . . 62.32 111.134 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -107.56 -64.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.521 0.677 . . . . 74.52 111.199 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 1.9 t -108.12 114.82 29.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.277 -0.874 . . . . 71.32 111.109 -168.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -106.95 -35.81 6.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.077 0.465 . . . . 74.12 110.209 176.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -101.95 9.2 40.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.962 -0.563 . . . . 75.33 111.36 -172.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.33 123.82 0.92 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 121.044 -0.598 . . . . 42.1 112.628 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.2 p -158.93 -167.29 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.929 -0.397 . . . . 63.05 109.929 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' PHE . . . -70.74 114.61 8.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.221 0.452 . . . . 71.53 112.221 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -166.36 167.46 15.85 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.741 -0.663 . . . . 74.45 109.603 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.82 163.58 39.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.622 0.231 . . . . 72.41 111.622 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.517 HG13 HG22 ' A' ' 50' ' ' VAL . 41.7 t -137.41 131.69 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.919 -0.582 . . . . 72.52 110.151 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -121.29 142.86 49.55 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.688 0.395 . . . . 72.42 111.053 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.585 ' HD2' HG22 ' A' ' 75' ' ' THR . 54.6 tttp -118.73 140.62 49.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.464 -0.569 . . . . 74.15 109.464 173.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 33.2 ttp180 -86.06 122.36 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 75.41 110.674 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 28.4 mm -65.74 -25.1 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 51.12 111.293 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 62.7 ttt180 76.13 -33.54 0.22 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.157 0.583 . . . . 71.41 111.362 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -74.98 26.75 0.09 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.988 0.515 . . . . 61.33 112.101 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.4 tm? . . . . . 0 C--O 1.236 0.344 0 N-CA-C 109.427 -0.583 . . . . 64.4 109.427 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 110.905 -0.878 . . . . 71.11 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.15 -64.4 0.85 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 72.23 110.008 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD12 HD23 ' A' ' 22' ' ' LEU . 53.8 mt -117.04 84.93 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.618 -0.882 . . . . 74.41 108.618 174.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.62 131.95 36.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.6 -1.182 . . . . 64.31 110.499 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 16.7 mm -117.16 100.37 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.447 -0.575 . . . . 73.24 109.447 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.34 111.58 23.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.085 -0.339 . . . . 74.33 110.085 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.7 tt -150.62 137.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 54.44 110.66 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 54.23 46.83 24.43 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.895 -0.593 . . . . 73.5 111.458 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 62.82 28.66 16.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.813 -0.63 . . . . 62.41 111.736 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 135.15 38.62 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.599 -0.273 . . . . 64.32 110.955 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -95.94 116.56 29.11 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.565 -0.532 . . . . 45.53 109.565 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 43.1 m-85 -107.38 160.4 15.66 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.397 -0.365 . . . . 71.12 110.29 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 100' ' ' ILE . 13.8 pt-20 -124.6 133.19 53.35 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.543 -0.54 . . . . 63.14 109.543 172.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 HD12 ' A' ' 11' ' ' ILE . 53.6 tp -77.31 103.47 7.26 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.089 -0.708 . . . . 65.44 109.089 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG11 HG21 ' A' ' 75' ' ' THR . 12.9 m -90.08 -25.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 74.23 111.51 -173.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -154.8 132.28 11.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.301 . . . . 72.33 110.336 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.471 ' HB2' HD21 ' A' ' 22' ' ' LEU . 39.9 t30 -127.85 108.91 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.221 -0.659 . . . . 61.24 109.221 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 56.5 t80 -95.3 113.39 25.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 73.12 110.411 -173.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 59.05 34.75 23.65 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.003 -0.544 . . . . 65.21 111.098 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 25' ' ' ASN . 0.6 OUTLIER 58.78 30.22 19.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.13 -0.486 . . . . 44.4 111.119 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -19.8 60.7 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.197 -0.525 . . . . 64.35 112.378 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.12 136.67 42.95 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.014 0.435 . . . . 72.32 111.117 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -151.58 121.78 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.377 -0.829 . . . . 64.24 108.809 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.45 -51.67 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 75.02 111.902 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 11.7 pt-20 -64.92 -32.42 74.12 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 121.179 -0.208 . . . . 75.34 111.361 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.32 67.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.849 0.357 . . . . 62.13 110.39 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.1 -58.23 9.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 55.15 110.817 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 33' ' ' GLU . 13.8 ptmm? -57.83 -31.06 66.25 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 62.1 111.608 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.09 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.393 -0.367 . . . . 50.42 111.341 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HB2' HD13 ' A' ' 60' ' ' LEU . 30.5 mmt180 -106.51 -3.49 20.81 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.901 0.334 . . . . 74.03 111.901 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -76.74 148.71 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.136 -0.32 . . . . 51.13 110.136 176.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.3 t -149.05 155.47 40.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.623 -0.51 . . . . 74.04 109.623 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.03 -23.86 67.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.427 -0.351 . . . . 75.2 111.52 -176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 tp -61.36 -28.42 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 121.134 0.493 . . . . 74.11 110.349 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.6 mt -83.54 -18.64 37.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.927 -0.579 . . . . 75.24 111.566 -176.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.19 -34.61 78.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.418 -0.356 . . . . 53.31 111.57 -173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -63.79 -15.76 59.54 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.116 -0.493 . . . . 70.25 112.182 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.8 m-85 -81.7 -22.87 37.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.601 0.239 . . . . 74.14 111.204 -175.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.38 0.2 1.67 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.292 0.637 . . . . 74.21 112.007 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -145.39 117.07 8.13 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.935 0.398 . . . . 72.21 110.413 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.7 mm -115.41 117.42 55.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.621 . . . . 73.04 110.14 -178.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.9 t -119.16 116.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.035 -0.357 . . . . 55.14 110.035 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -104.87 129.75 9.96 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.17 -0.772 . . . . 51.42 111.17 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -108.99 154.02 22.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.287 0.565 . . . . 72.02 111.461 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' CE2' HD23 ' A' ' 58' ' ' LEU . 89.8 m95 -117.84 31.46 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.989 -1.005 . . . . 75.03 109.158 169.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.513 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . -49.5 -41.11 32.79 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.738 -0.665 . . . . 70.04 114.177 -170.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.458 ' H ' ' HG2' ' A' ' 57' ' ' GLN . 66.7 t80 -123.47 19.94 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.476 0.655 . . . . 73.42 109.528 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.84 46.9 21.67 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.264 -1.134 . . . . 41.31 110.264 -169.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 9.2 pt20 -133.46 93.86 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.994 -0.603 . . . . 74.42 109.861 -173.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' CE2' ' A' ' 53' ' ' TRP . 2.1 tm? -70.08 91.77 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 71.4 110.022 -175.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 40.3 mtp180 -120.71 129.87 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 71.11 110.196 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.4 mp -97.84 112.21 24.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.846 0.355 . . . . 65.31 110.126 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.9 tmtt? -107.13 130.4 54.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.133 -0.691 . . . . 74.3 109.133 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.552 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.63 139.75 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.242 -0.504 . . . . 72.3 112.086 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.9 m-85 -129.0 162.08 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.327 -0.249 . . . . 51.44 110.327 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -103.04 165.07 11.24 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.656 -0.498 . . . . 71.1 109.656 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.27 122.67 20.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 74.41 110.829 -176.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.09 -0.707 . . . . 71.41 109.09 171.295 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.61 HG21 HG11 ' A' ' 23' ' ' VAL . 41.9 p . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.577 0.227 . . . . 75.2 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 76' ' ' LYS . 26.7 mmtm -147.02 119.81 8.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.28 0.562 . . . . 71.11 110.871 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 80' ' ' LEU . 58.7 mt -119.95 128.41 75.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.585 -0.734 . . . . 75.12 109.411 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -76.57 -49.65 15.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 75.31 110.439 -174.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -64.17 -24.93 67.86 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.042 -0.527 . . . . 65.41 110.752 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' H ' HG22 ' A' ' 77' ' ' ILE . 40.5 tp -60.38 -34.92 74.58 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.464 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.16 -45.84 91.69 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.237 0.542 . . . . 72.22 109.901 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.0 mm-40 -65.55 -42.34 91.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.372 -0.831 . . . . 70.22 110.108 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -61.19 -55.76 28.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.17 -0.923 . . . . 75.2 111.11 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.78 -37.16 70.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.333 -0.394 . . . . 74.51 110.787 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -61.01 -22.59 64.69 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.96 -0.564 . . . . 75.35 111.42 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 17.7 mm-40 -81.11 -25.38 37.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.495 -0.321 . . . . 64.1 111.221 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.415 ' HB3' ' HA3' ' A' ' 54' ' ' GLY . 99.1 m-85 -107.86 -62.32 1.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.859 0.362 . . . . 75.15 111.616 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 61.3 m -89.9 100.61 13.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.156 -0.474 . . . . 60.53 112.033 -170.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -93.79 -43.77 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.41 -74.1 0.13 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.657 -0.701 . . . . 74.53 110.062 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 81.71 0.37 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.789 -0.525 . . . . 74.32 111.789 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.513 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 48.8 t -158.55 168.31 27.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.634 0.254 . . . . 74.1 110.758 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -155.37 154.7 32.39 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.815 -0.439 . . . . 63.04 109.815 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -165.89 170.73 13.46 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 110.202 -0.295 . . . . 73.14 110.202 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -146.26 145.88 30.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 72.1 110.478 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 t -123.16 121.3 62.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.344 -0.389 . . . . 61.01 110.475 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.449 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -111.7 139.74 46.9 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.71 0.404 . . . . 73.42 110.446 176.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -111.53 122.13 47.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 74.45 109.882 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 100' ' ' ILE . 2.7 tmm_? -81.5 129.39 34.64 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.232 -0.655 . . . . 74.42 109.232 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 102' ' ' LYS . 8.8 mm -105.58 161.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.145 0.497 . . . . 73.13 110.974 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.0 ptt180 -77.39 33.96 0.16 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.611 -0.722 . . . . 62.01 110.795 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 100' ' ' ILE . 42.2 mtmt -129.52 156.79 43.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.59 0.356 . . . . 54.31 110.633 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 109.155 -0.683 . . . . 62.42 109.155 168.008 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 111.311 -0.715 . . . . 74.21 111.311 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 11' ' ' ILE . 43.0 tt0 -153.25 -72.56 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.937 -0.394 . . . . 71.0 109.937 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' ' 10' ' ' GLU . 58.5 mt -106.47 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.368 0.604 . . . . 73.12 109.753 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptp -92.58 137.83 32.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.405 -0.816 . . . . 64.43 110.321 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 43.0 mm -120.76 102.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 72.51 109.682 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.78 123.76 50.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.15 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.566 HG12 ' HG2' ' A' ' 16' ' ' GLN . 6.3 tt -149.37 136.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.765 -0.652 . . . . 63.4 109.653 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.8 mm100 61.5 22.47 12.91 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.073 0.233 . . . . 74.05 110.942 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.38 32.14 9.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.129 -0.487 . . . . 64.5 110.553 -173.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.57 150.46 27.46 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.474 -0.565 . . . . 61.22 109.474 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 30.4 tt0 -111.53 114.13 27.0 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.165 0.291 . . . . 64.11 111.211 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 93.9 m-85 -131.15 166.33 21.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.3 0.24 . . . . 72.24 110.451 178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' ILE . 10.3 pt-20 -139.43 161.03 38.47 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.324 -0.621 . . . . 73.22 109.324 169.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 25' ' ' ASN . 61.0 tp -89.85 103.19 15.87 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.472 -0.566 . . . . 63.45 109.472 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.25 -17.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.569 -0.287 . . . . 52.1 111.758 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 15.5 t-80 -155.33 133.47 11.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 63.21 110.515 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.8 t30 -139.88 135.55 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.597 -0.52 . . . . 71.42 109.597 176.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -131.93 133.29 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.143 -0.317 . . . . 73.23 110.143 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 63.26 16.19 9.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.885 0.741 . . . . 61.14 110.293 178.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.7 m-20 55.62 34.99 24.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.614 -0.721 . . . . 53.5 110.581 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.472 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.04 -14.74 73.79 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.287 -0.869 . . . . 73.21 112.284 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.12 129.14 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 74.52 111.105 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.4 t-20 -153.65 126.87 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.571 -0.9 . . . . 72.14 108.571 172.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -57.93 -43.8 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.271 0.357 . . . . 54.32 111.212 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.0 pt-20 -59.24 -41.79 89.56 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.486 -0.324 . . . . 73.32 110.368 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.98 97.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.221 0.534 . . . . 71.02 110.396 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -57.39 7.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 71.1 110.927 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 17.5 ptmt -70.91 -19.21 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 55.12 112.023 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.14 53.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.707 0.289 . . . . 50.3 111.174 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -97.29 -13.25 22.08 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.493 -0.321 . . . . 63.33 110.442 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.74 139.34 56.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.189 0.519 . . . . 72.31 112.003 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -136.2 146.43 46.81 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.052 -0.721 . . . . 54.44 109.052 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.28 -35.31 73.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.696 0.284 . . . . 72.34 111.503 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.05 -27.56 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.028 0.442 . . . . 63.12 110.867 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.44 -19.53 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 74.14 111.057 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -38.18 80.19 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.166 -0.47 . . . . 75.21 111.088 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -64.74 -21.85 66.85 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 52.01 112.384 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 94.4 m-85 -70.21 -28.71 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 72.41 110.899 -176.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 67.0 1.3 2.27 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.771 -0.649 . . . . 52.33 111.657 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 77' ' ' ILE . 41.3 m-85 -142.19 117.36 10.08 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.503 -0.554 . . . . 60.02 109.503 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -119.63 118.69 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 61.23 110.287 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 HG13 ' A' ' 96' ' ' VAL . 84.8 t -111.2 118.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 61.2 110.487 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.87 120.51 5.95 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.48 -0.648 . . . . 73.21 111.48 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.77 121.76 44.7 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.987 -0.375 . . . . 74.21 109.987 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -84.2 -60.59 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.058 -0.719 . . . . 73.0 109.058 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.494 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 50.29 -96.88 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.477 -0.783 . . . . 74.22 113.427 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -82.9 5.33 22.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.223 0.535 . . . . 74.04 110.957 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 4.64 59.82 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.886 -0.486 . . . . 71.23 111.886 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.97 80.97 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.877 -0.416 . . . . 63.42 109.877 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.91 107.82 0.92 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 65.42 109.928 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -131.11 158.19 41.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.356 -0.838 . . . . 72.43 109.188 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.71 118.27 36.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 64.25 111.21 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -97.79 138.14 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 72.13 109.664 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.86 135.85 12.41 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.024 -0.608 . . . . 72.31 112.315 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 63.5 m-85 -132.67 174.14 10.61 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.724 -0.473 . . . . 70.01 109.724 175.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -121.02 171.34 8.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 51.5 109.181 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 107.32 0.46 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.608 -0.516 . . . . 74.1 109.608 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.69 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 15.4 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.579 . . . . 62.1 110.131 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.169 0.509 . . . . 71.21 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -160.91 146.88 14.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.948 -0.76 . . . . 73.5 108.948 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.69 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 31.4 mt -126.09 110.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.936 -0.394 . . . . 62.33 109.936 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.8 t -65.83 -46.63 77.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.752 0.311 . . . . 60.3 110.718 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -63.81 -18.16 63.83 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.322 -0.399 . . . . 72.25 110.999 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 66.9 tp -66.83 -45.52 78.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.432 -0.349 . . . . 74.25 110.576 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.86 -43.77 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.963 -0.562 . . . . 70.31 110.158 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 23.2 mm-40 -65.73 -48.51 71.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 64.22 110.445 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.83 -56.51 18.62 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.776 -0.647 . . . . 75.13 111.244 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 88' ' ' CYS . 44.1 mm -58.29 -42.77 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 64.21 110.467 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.82 -30.1 60.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 74.4 110.764 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -79.92 -47.96 14.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.043 -0.526 . . . . 71.52 110.493 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -86.69 -81.71 0.22 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.88 -0.6 . . . . 71.21 111.037 -175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.512 ' HB3' HG23 ' A' ' 84' ' ' ILE . 37.1 t -81.26 82.36 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.21 0.529 . . . . 54.03 110.385 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -66.86 178.16 1.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 73.22 110.178 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.78 87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.037 0.446 . . . . 74.12 109.946 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.73 37.43 0.02 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.59 -0.732 . . . . 70.43 111.554 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.494 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 7.5 p -172.25 -167.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.588 -0.523 . . . . 72.14 109.588 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . . . -133.95 166.01 23.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.814 0.34 . . . . 62.33 111.529 -176.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -165.38 160.33 18.0 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.704 -0.68 . . . . 55.24 109.863 176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -144.2 153.94 42.61 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.488 -0.324 . . . . 74.22 110.684 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.513 HG13 HG22 ' A' ' 50' ' ' VAL . 32.4 t -131.31 120.68 46.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.325 -0.398 . . . . 43.4 110.567 -175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.84 148.34 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.228 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -128.66 137.82 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 71.23 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 8.5 tpt180 -69.79 126.22 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.559 -0.534 . . . . 71.22 109.559 172.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 21' ' ' GLU . 38.4 mm -77.15 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.695 -0.23 . . . . 61.03 110.469 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -145.9 -81.93 0.15 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 110.448 -0.205 . . . . 72.52 110.448 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 147.59 22.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.608 -0.269 . . . . 71.31 110.364 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.298 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.605 0.558 . . . . 70.11 113.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -161.47 -73.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.306 -1.368 . . . . 63.13 107.306 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -133.36 81.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.832 -1.174 . . . . 62.24 107.832 167.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -102.91 138.83 39.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.08 -0.964 . . . . 73.44 110.592 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 97' ' ' LEU . 19.1 mm -118.1 99.83 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 73.14 109.637 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 14' ' ' LEU . 7.2 mp -90.2 110.65 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.22 109.682 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.604 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.7 tt -143.22 135.99 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 74.25 109.952 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 15' ' ' ILE . 71.4 mm-40 57.88 29.22 17.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 70.31 110.528 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 64.87 25.04 12.81 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.607 -0.724 . . . . 74.22 110.938 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.87 128.17 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.32 -0.622 . . . . 62.25 109.32 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.42 136.64 35.54 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.683 0.278 . . . . 73.31 110.281 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 84.2 m-85 -130.38 134.35 47.08 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.348 -0.612 . . . . 71.13 109.348 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.59 136.07 37.62 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.76 0.315 . . . . 71.12 110.191 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.9 104.84 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.318 -0.623 . . . . 73.4 109.318 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -96.44 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.808 -175.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -158.08 132.53 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.034 -0.358 . . . . 75.42 110.034 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -142.93 137.91 29.77 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.513 -0.551 . . . . 75.53 109.513 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 50.4 t80 -128.1 112.28 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.046 -0.353 . . . . 75.0 110.046 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.4 mptp? 56.88 34.17 24.35 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.103 0.478 . . . . 65.31 111.174 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 60.03 39.29 20.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.405 -0.816 . . . . 71.11 110.802 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.3 -28.41 61.74 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.324 -0.71 . . . . 51.51 111.324 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -64.42 136.16 56.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.125 0.488 . . . . 72.52 110.992 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -153.88 116.5 4.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.202 -1.036 . . . . 73.43 108.202 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.4 tt0 -65.17 -51.66 59.76 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.483 0.182 . . . . 72.23 111.349 -171.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.82 -34.78 76.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.49 -0.323 . . . . 61.01 110.704 -174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.85 57.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.472 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.04 -59.14 5.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 62.12 111.063 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.8 ptmt -63.92 -24.2 67.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 74.25 111.325 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.74 35.1 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.279 -0.419 . . . . 64.31 111.448 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.6 mmp_? -114.08 -2.04 13.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.57 -0.286 . . . . 70.04 111.128 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -67.22 114.4 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.984 -0.376 . . . . 71.35 109.984 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -89.15 134.02 34.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.093 -0.503 . . . . 63.53 109.837 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.88 -30.6 67.88 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 122.601 0.36 . . . . 74.31 110.886 -177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.14 -28.19 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.339 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 49' ' ' ILE . 94.8 mt -71.18 -15.26 62.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.1 -0.5 . . . . 62.5 111.705 -175.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.39 -23.17 64.12 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.132 0.492 . . . . 73.31 110.823 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.36 -36.84 81.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.845 -0.616 . . . . 72.45 110.963 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 75.5 m-85 -84.56 -38.13 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 74.35 111.718 -169.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 99' ' ' ARG . 22.4 m-20 67.95 1.37 2.7 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.232 -0.44 . . . . 53.13 111.966 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 69.2 m-85 -129.59 115.66 17.73 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.533 -0.914 . . . . 75.1 108.533 171.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 43' ' ' LEU . 27.2 mm -114.76 126.63 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.686 -172.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.497 HG21 HD13 ' A' ' 80' ' ' LEU . 47.2 t -118.41 124.87 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 64.33 109.555 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -116.58 120.26 4.79 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.819 -0.705 . . . . 54.43 111.907 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.42 139.79 48.62 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.926 -0.398 . . . . 75.31 109.926 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.99 -88.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.072 -0.344 . . . . 74.32 110.072 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.07 -74.49 0.08 OUTLIER Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.305 -0.474 . . . . 75.31 112.36 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -86.65 178.07 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.023 -0.732 . . . . 63.45 109.023 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.28 28.04 1.0 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.148 -0.549 . . . . 51.14 113.779 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -144.45 143.14 30.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.559 -0.534 . . . . 70.51 109.559 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.49 113.31 23.94 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.313 -0.625 . . . . 74.53 109.313 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 20.6 tpp85 -94.48 128.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.986 -0.376 . . . . 73.41 109.986 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.0 115.37 28.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.935 0.398 . . . . 70.12 110.256 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -110.73 138.69 46.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.589 -0.732 . . . . 73.22 109.584 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.78 141.81 15.37 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.329 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 80.5 m-85 -135.94 168.04 20.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.783 0.325 . . . . 73.45 110.747 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.49 156.46 20.84 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.282 -0.636 . . . . 54.22 109.282 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.69 153.67 16.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 110.244 -0.28 . . . . 70.04 110.244 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' ' 77' ' ' ILE . 7.8 t70 . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.771 0.32 . . . . 73.31 110.632 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.235 0.3 0 CA-C-O 121.206 0.527 . . . . 43.21 111.195 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -150.41 132.24 15.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.131 -0.692 . . . . 73.04 109.131 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.451 HG22 HG22 ' A' ' 79' ' ' THR . 64.7 mt -126.84 122.41 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.697 -0.483 . . . . 74.41 109.697 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -51.38 -49.79 60.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.332 -0.395 . . . . 64.05 111.631 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.451 HG22 HG22 ' A' ' 77' ' ' ILE . 14.4 t -69.22 -21.3 63.95 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.656 -0.247 . . . . 71.21 111.428 -177.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 50' ' ' VAL . 50.6 tp -69.41 -42.42 75.09 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 109.845 -0.428 . . . . 73.14 109.845 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.57 -43.68 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 71.24 109.912 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 29.5 mm-40 -61.27 -49.7 75.99 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.681 -0.691 . . . . 74.41 109.975 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.77 -54.7 30.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.259 -0.882 . . . . 72.34 111.713 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.44 -39.6 79.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.898 0.38 . . . . 61.52 110.325 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 50.2 t80 -64.6 -39.23 93.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.555 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.9 mt-10 -61.81 -56.43 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 52.15 111.419 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -96.82 -28.47 14.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.204 0.816 . . . . 72.53 113.204 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 34.4 t -135.18 50.97 2.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.17 0.51 . . . . 73.34 111.552 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 51.9 t30 -69.39 -34.19 74.15 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.93 -0.577 . . . . 72.25 110.429 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.73 -71.19 0.16 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.722 -0.672 . . . . 74.13 110.412 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.71 94.36 0.1 Allowed Glycine 0 C--O 1.238 0.36 0 C-N-CA 121.139 -0.553 . . . . 75.31 111.903 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 23.0 p -135.78 159.81 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.53 -0.544 . . . . 73.53 109.53 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.0 134.97 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.638 0.256 . . . . 71.22 111.313 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -151.44 174.7 13.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.922 -0.581 . . . . 54.31 110.025 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -154.55 151.8 29.31 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.593 -0.276 . . . . 74.43 111.037 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.2 128.38 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 122.468 0.307 . . . . 75.01 110.595 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 20' ' ' PHE . 11.2 mp -111.6 146.48 37.32 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.787 0.435 . . . . 42.52 110.787 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -118.64 138.01 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 72.42 109.984 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 12.9 tpt180 -66.58 138.2 57.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.176 0.436 . . . . 75.41 112.176 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.0 mm -98.75 142.26 15.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.659 -0.7 . . . . 72.35 109.196 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -60.29 -48.32 82.22 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.619 0.247 . . . . 71.44 111.231 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -125.1 176.11 6.92 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.555 -0.293 . . . . 61.3 110.659 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.123 0.487 . . . . 61.22 112.114 -175.042 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 111.483 0.179 . . . . 75.21 111.483 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.7 pt -68.99 133.8 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 109.165 -0.68 . . . . 71.51 109.165 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 74.82 46.8 16.25 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.265 -1.134 . . . . 70.44 110.265 -171.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -42.71 81.6 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.085 1.142 . . . . 75.15 114.085 -170.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 3' ' ' GLY . 18.4 m 51.9 28.93 5.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.798 -0.637 . . . . 72.12 111.506 174.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' OE2' ' HA2' ' A' ' 3' ' ' GLY . 43.4 mt-10 -70.18 112.43 6.53 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.045 -0.525 . . . . 73.3 112.398 -173.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.61 ' HD2' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -115.06 16.86 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.679 -0.86 . . . . 71.14 108.679 168.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -107.46 135.23 49.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 114.957 -1.02 . . . . 71.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.41 -176.21 31.21 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.604 -0.598 . . . . 62.05 111.604 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.1 -86.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 63.12 108.596 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 22' ' ' LEU . 54.7 mt -140.64 82.42 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.195 -1.039 . . . . 43.32 108.195 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.555 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.36 122.32 35.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.289 -0.869 . . . . 72.32 110.532 -176.456 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.5 HG13 HD21 ' A' ' 97' ' ' LEU . 17.7 mm -107.7 108.61 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.763 -0.653 . . . . 75.34 110.098 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.86 115.31 30.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.03 -0.359 . . . . 75.51 110.03 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -141.26 142.73 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.272 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 53.95 33.42 17.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.8 0.333 . . . . 65.42 110.861 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.523 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 2.5 m-20 64.26 27.47 13.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.731 -0.668 . . . . 61.31 111.045 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.66 132.02 56.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.947 -0.57 . . . . 60.41 109.662 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -94.17 123.98 37.9 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.873 -0.417 . . . . 71.3 109.873 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.52 160.45 26.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.718 0.294 . . . . 75.25 110.451 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -133.82 129.75 36.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.088 -0.505 . . . . 75.5 109.675 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 11' ' ' ILE . 64.8 tp -74.17 101.7 4.04 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.474 -0.565 . . . . 70.44 109.474 175.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -87.89 -36.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 74.32 111.439 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.1 133.77 30.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.34 -0.244 . . . . 64.11 110.34 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -143.57 128.8 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 75.32 109.759 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -124.66 133.39 53.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 72.51 110.313 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 64.53 20.6 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.314 -0.857 . . . . 61.44 110.26 173.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 57.32 37.12 27.97 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.535 -0.757 . . . . 73.31 110.42 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.99 -16.01 70.09 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.571 -0.74 . . . . 73.44 112.26 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.95 97.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 71.14 111.331 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -107.69 112.36 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.693 -0.854 . . . . 53.22 108.693 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.4 -51.63 68.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.267 0.469 . . . . 53.01 112.267 -170.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.88 -40.16 91.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.976 -0.29 . . . . 55.34 110.634 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.68 85.16 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.352 -0.386 . . . . 73.14 110.257 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 59.9 t80 -55.98 -57.24 12.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.147 -0.479 . . . . 71.41 110.825 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HB2' HD12 ' A' ' 15' ' ' ILE . 14.2 ptmm? -67.99 -19.77 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 62.1 111.329 -174.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.21 34.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 75.33 110.535 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 38' ' ' ARG . 12.1 mmm180 -90.73 -14.47 32.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 65.41 110.75 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -64.22 155.07 33.01 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.86 -0.609 . . . . 73.54 111.232 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -149.33 148.43 29.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.168 -0.679 . . . . 73.01 109.168 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.28 -37.43 74.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.704 0.402 . . . . 64.5 112.044 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.09 -24.78 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.065 0.459 . . . . 75.35 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' HD12 ' A' ' 49' ' ' ILE . 89.2 mt -71.14 -27.41 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 73.52 111.387 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -57.91 -21.51 43.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.175 0.512 . . . . 70.03 110.62 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 74.02 112.091 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.3 -24.94 57.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.257 0.836 . . . . 74.12 113.257 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 22.5 t70 72.41 -0.11 3.4 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.197 0.522 . . . . 75.42 110.744 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -149.35 119.12 7.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.998 -0.547 . . . . 71.24 109.945 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.6 mm -112.81 114.53 47.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.828 0.346 . . . . 74.31 110.082 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.5 t -101.96 127.43 55.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.623 -0.51 . . . . 64.11 109.623 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -118.38 120.05 4.58 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.873 -0.68 . . . . 63.01 111.474 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.11 150.81 44.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.844 0.354 . . . . 74.1 110.06 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -97.37 27.05 4.42 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.017 -0.538 . . . . 70.45 110.367 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -66.75 135.72 33.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.23 -0.748 . . . . 30.51 111.23 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 61.7 t80 70.66 11.5 7.24 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.335 0.588 . . . . 61.33 110.058 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.06 -49.59 4.14 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.036 -0.529 . . . . 61.3 112.622 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.78 116.23 15.26 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.959 -0.386 . . . . 71.54 109.959 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 59' ' ' ARG . 4.8 tt -55.49 123.42 13.9 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.48 0.487 . . . . 70.01 110.179 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.563 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 18.6 mmm180 -107.39 129.12 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.51 109.839 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.08 102.52 12.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.541 -0.911 . . . . 50.14 108.541 168.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -114.77 126.77 55.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.162 -0.681 . . . . 75.15 109.162 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.02 146.23 18.04 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.013 -0.613 . . . . 60.1 112.648 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -124.58 169.46 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.223 -0.658 . . . . 74.3 109.223 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -103.41 163.14 12.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.678 -0.49 . . . . 64.54 109.678 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.28 109.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.679 0.752 . . . . 71.41 111.359 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 77' ' ' ILE . 13.7 t70 -86.35 -47.31 9.47 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.963 -1.017 . . . . 74.43 110.913 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 14.6 mm-40 -70.41 153.79 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 73.2 111.667 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -90.48 158.65 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.763 -0.828 . . . . 73.44 108.763 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.95 -21.06 18.66 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.389 0.514 . . . . 72.34 112.389 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -91.72 -0.56 57.56 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.817 0.342 . . . . 72.21 111.43 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.53 128.94 34.9 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.364 -0.21 . . . . 61.2 110.454 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 t -77.11 -28.31 54.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.046 0.451 . . . . 74.24 110.184 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 m-85 -84.1 62.39 7.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.929 0.395 . . . . 73.22 110.12 174.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -47.43 -35.8 9.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.151 -0.931 . . . . 72.31 111.433 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.9 p -86.13 1.06 51.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.454 -0.794 . . . . 55.24 112.949 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.4 mmmt -90.1 129.94 36.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.121 0.486 . . . . 74.15 110.978 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 66' ' ' ASP . 44.3 mt -114.88 107.47 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.587 -0.894 . . . . 65.12 108.587 173.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -64.29 -33.26 75.43 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.704 0.288 . . . . 51.01 111.721 -172.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -77.68 -11.21 59.85 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.101 0.477 . . . . 70.24 111.111 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 54.2 tp -69.59 -42.13 74.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.496 -176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.57 -49.88 61.2 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.976 -0.557 . . . . 70.24 111.438 -175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.92 -34.77 78.5 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.773 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.64 -53.54 54.87 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.014 -0.539 . . . . 74.31 110.479 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.419 HG23 ' HB3' ' A' ' 88' ' ' CYS . 42.1 mm -57.43 -41.28 78.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.803 -0.635 . . . . 74.51 110.436 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.92 -35.23 74.45 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.631 . . . . 73.14 111.082 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.76 -37.2 79.19 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.281 -0.418 . . . . 75.3 111.16 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.03 -75.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 73.31 111.015 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.419 ' HB3' HG23 ' A' ' 84' ' ' ILE . 34.3 t -88.24 71.29 9.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.35 0.595 . . . . 65.24 110.316 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.67 170.54 16.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.684 -0.689 . . . . 63.43 109.562 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -43.92 121.21 2.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.846 0.459 . . . . 64.01 111.068 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.69 51.5 1.19 Allowed Glycine 0 C--N 1.33 0.218 0 N-CA-C 110.512 -1.035 . . . . 73.12 110.512 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 93' ' ' ALA . 32.7 t -165.25 -174.21 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.204 -0.665 . . . . 24.21 109.204 -173.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.579 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -144.02 143.64 31.29 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.55 -0.167 . . . . 71.11 110.55 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -157.8 165.72 34.59 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.989 0.423 . . . . 74.14 110.444 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.93 155.11 38.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 70.45 109.544 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.18 123.79 51.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 120.666 0.269 . . . . 64.42 110.626 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 13' ' ' ILE . 10.3 mp -108.22 136.77 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 62.43 110.239 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -107.31 131.45 54.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.782 -0.644 . . . . 73.32 109.899 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.516 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 7.6 tmm_? -85.81 126.65 34.18 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.829 -0.804 . . . . 61.12 108.829 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 102' ' ' LYS . 26.6 mm -80.23 149.16 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 54.42 111.188 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -75.9 35.71 0.13 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.877 -0.601 . . . . 63.34 111.53 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 100' ' ' ILE . 23.6 pttp -171.63 176.82 3.6 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 109.312 -0.625 . . . . 71.42 109.312 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.2 tm? -149.6 108.73 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.434 -0.58 . . . . 72.31 109.434 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.72 94.77 5.62 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.496 -0.557 . . . . 74.33 109.496 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -130.87 106.4 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.682 -0.859 . . . . 72.03 108.682 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -69.83 82.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.639 . . . . 72.31 111.123 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -85.19 103.72 14.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.31 -0.626 . . . . 75.04 109.31 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -66.35 90.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 72.03 110.441 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -84.36 169.24 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 74.02 110.135 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 C--O 1.245 0.843 0 N-CA-C 109.626 -0.509 . . . . 63.24 109.626 175.722 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.815 -0.439 . . . . 61.23 109.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.66 114.95 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.417 -0.356 . . . . 51.35 110.475 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.401 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -80.99 148.48 28.61 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.39 -0.684 . . . . 64.52 111.39 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -109.87 131.42 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.77 0.285 . . . . 44.3 110.884 -177.311 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -91.08 159.36 16.15 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.737 -0.468 . . . . 73.11 109.737 174.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.493 ' OE1' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -93.94 -172.48 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.749 -0.463 . . . . 64.5 109.749 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' A' ' 104' ' ' GLU . 2.8 mptp? -137.2 67.6 1.43 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.139 -0.35 . . . . 73.4 111.675 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HB2' ' OE1' ' A' ' 6' ' ' GLU . 16.1 mmm180 -142.32 0.74 1.35 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.102 -0.499 . . . . 64.14 110.438 171.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.75 95.22 0.05 OUTLIER Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.145 -0.48 . . . . 70.34 112.388 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -73.78 -52.4 13.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.86 0.362 . . . . 54.52 110.692 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.5 mt -115.44 92.42 2.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.228 0.537 . . . . 74.14 110.039 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -101.36 131.55 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.091 -0.959 . . . . 73.23 110.183 -179.295 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG13 HD21 ' A' ' 97' ' ' LEU . 22.8 mm -113.66 115.0 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 74.35 110.069 -177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mp -105.52 117.89 35.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.481 -0.327 . . . . 74.03 110.342 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.591 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.4 tt -150.09 132.71 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.295 -0.411 . . . . 74.34 110.784 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.591 ' HG2' HG12 ' A' ' 15' ' ' ILE . 13.8 mm100 53.44 38.05 27.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.823 0.449 . . . . 61.21 111.621 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.34 23.51 12.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.385 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.18 138.73 52.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.435 -0.58 . . . . 75.52 109.435 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 103' ' ' LEU . 23.1 tt0 -117.14 132.84 56.57 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.395 -0.594 . . . . 63.42 109.395 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -128.78 160.09 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 62.15 110.51 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -118.56 141.61 48.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.493 -0.558 . . . . 75.03 109.493 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 25' ' ' ASN . 51.2 tp -84.81 106.8 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.608 -0.516 . . . . 74.32 109.608 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -91.48 -30.25 4.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.514 -0.312 . . . . 75.1 111.561 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -145.42 133.44 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.158 -0.312 . . . . 73.13 110.158 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.7 t30 -140.71 99.73 3.69 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.67 -0.493 . . . . 64.31 109.67 -178.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB3' ' H ' ' A' ' 94' ' ' TYR . 51.0 t80 -89.91 116.46 27.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 63.51 110.346 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 57.86 33.59 23.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.911 0.484 . . . . 63.23 111.328 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.407 ' HA ' HD21 ' A' ' 25' ' ' ASN . 2.3 m-20 58.4 30.82 20.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.853 -0.612 . . . . 73.02 110.91 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.58 -14.76 55.86 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.752 -0.658 . . . . 44.11 112.647 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 82.7 t80 -68.11 112.96 5.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.927 0.394 . . . . 74.24 110.985 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.7 105.37 9.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 53.55 109.338 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 37.1 tt0 -58.18 -37.01 73.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 73.44 110.823 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.579 ' HG2' ' N ' ' A' ' 34' ' ' ALA . 4.1 pm0 -56.38 -46.31 80.15 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.356 -0.384 . . . . 71.54 111.297 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.579 ' N ' ' HG2' ' A' ' 33' ' ' GLU . . . -78.89 -30.35 44.88 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.487 0.661 . . . . 75.13 109.46 -177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.829 -1.078 . . . . 61.51 110.073 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 19.5 ptmt -63.87 -19.74 65.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 54.13 111.163 -176.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.06 -47.2 16.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.556 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.618 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -89.04 -3.87 58.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.992 -0.549 . . . . 65.31 111.295 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HA ' HD12 ' A' ' 60' ' ' LEU . 87.6 t80 -72.54 139.96 47.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 73.12 111.314 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 m -133.97 140.22 46.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.57 -0.741 . . . . 45.4 109.606 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -56.69 -32.48 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.724 0.41 . . . . 62.24 111.281 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -58.94 -24.95 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.278 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -72.49 -12.65 61.17 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.281 -0.418 . . . . 72.42 111.475 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.13 -24.59 67.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.588 0.233 . . . . 75.44 111.235 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.92 -26.55 64.45 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.877 0.37 . . . . 71.52 111.245 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -83.1 -30.87 27.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.941 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.33 1.74 3.72 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.333 0.653 . . . . 72.35 111.724 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -141.62 122.02 14.04 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.914 -0.402 . . . . 63.41 109.914 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.9 mm -109.22 125.64 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.621 -0.511 . . . . 73.21 109.621 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.2 t -124.16 124.86 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 72.55 110.516 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.35 128.95 8.2 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.035 -0.826 . . . . 61.52 111.035 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -123.37 147.32 47.19 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.947 0.403 . . . . 72.02 111.576 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -104.19 -8.37 19.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.591 -0.731 . . . . 71.22 110.982 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.19 -23.71 73.2 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.345 -0.702 . . . . 62.41 111.345 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -74.13 -9.18 58.37 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.214 0.53 . . . . 74.31 110.325 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.53 -54.41 4.14 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.812 -0.515 . . . . 64.05 111.812 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -99.54 129.96 45.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.667 -0.494 . . . . 72.54 109.667 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.78 102.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.049 0.452 . . . . 73.41 109.948 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.35 136.67 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.442 -0.577 . . . . 74.02 109.442 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 39' ' ' TYR . 86.2 mt -92.72 122.0 34.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.969 0.414 . . . . 62.21 111.015 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -109.69 173.96 6.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 74.14 109.05 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.95 149.63 21.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.843 -0.694 . . . . 74.33 111.884 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' A' ' 80' ' ' LEU . 90.0 m-85 -136.05 165.42 25.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.73 -0.47 . . . . 71.34 109.73 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -103.16 170.85 7.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.128 -0.323 . . . . 74.11 110.128 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.47 107.76 0.54 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.424 0.63 . . . . 74.1 110.768 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB2' HG23 ' A' ' 77' ' ' ILE . 12.4 t70 -83.24 -50.03 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.27 -0.877 . . . . 72.53 108.793 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 98.0 mt-30 -92.87 104.37 16.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.004 -0.998 . . . . 64.44 109.032 171.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.45 -5.38 52.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.301 0.572 . . . . 71.24 110.322 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.94 81.84 1.2 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.781 -0.645 . . . . 72.13 110.522 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 42.2 mtmt -75.17 103.54 5.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.611 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -172.62 -91.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 52.35 110.364 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -110.79 2.23 18.23 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.709 0.29 . . . . 64.21 110.89 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.411 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 73.1 m-85 -121.13 -104.22 0.39 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 119.474 -0.298 . . . . 74.31 110.295 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 67' ' ' GLN . 14.0 pt-20 45.38 15.86 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.095 0.958 . . . . 61.03 113.047 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -129.02 -27.74 2.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 111.913 0.338 . . . . 43.52 111.913 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 27.0 tptp -76.82 69.71 3.19 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.101 -0.703 . . . . 51.05 109.101 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.631 HG23 ' HB2' ' A' ' 66' ' ' ASP . 55.8 mt -68.28 103.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.041 -0.982 . . . . 73.24 110.162 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 t -57.48 -49.05 77.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.31 -0.404 . . . . 62.03 111.143 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -57.93 -27.29 63.24 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.983 0.42 . . . . 72.53 111.011 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.512 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -78.36 -43.41 27.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.132 -0.485 . . . . 73.23 110.199 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.25 -41.99 76.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.362 0.601 . . . . 72.12 109.897 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 12.3 mm-40 -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.217 -0.901 . . . . 73.34 109.985 174.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -58.47 -34.89 71.38 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.502 -0.772 . . . . 74.4 110.57 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.5 mm -67.23 -44.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.052 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -58.63 -31.65 68.3 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.068 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 8.4 mm-40 -60.77 -49.36 77.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 72.21 111.216 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -90.51 -55.36 3.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 75.53 110.555 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -81.39 87.19 6.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 63.34 111.356 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -83.72 -32.59 25.42 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.748 -0.834 . . . . 72.24 108.748 168.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -173.41 146.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.812 -1.086 . . . . 74.23 108.607 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.37 84.03 0.1 OUTLIER Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.9 -0.667 . . . . 75.35 112.041 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p -151.08 177.77 9.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 62.22 110.386 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.36 124.41 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.728 -0.841 . . . . 71.41 108.728 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.455 ' H ' ' HB3' ' A' ' 26' ' ' PHE . 32.4 p90 -148.13 155.67 41.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.88 0.372 . . . . 75.11 110.573 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 43.6 p90 -133.02 148.98 52.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 75.24 110.231 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -128.64 120.55 52.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.15 -0.477 . . . . 62.1 110.156 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -106.26 143.14 34.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.729 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.59 127.02 53.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.726 -0.67 . . . . 71.02 110.057 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.8 107.72 3.63 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.246 -0.434 . . . . 72.51 110.511 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.9 mm -68.51 141.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.096 -0.705 . . . . 75.3 109.096 175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -71.12 2.16 4.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.555 0.576 . . . . 62.22 112.555 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 3' ' ' GLY . 20.5 ptmt -175.05 -172.33 0.59 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.47 0.176 . . . . 63.05 110.718 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 103' ' ' LEU . 1.8 mm? -107.99 126.79 53.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.071 -0.714 . . . . 74.44 109.071 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' A' ' 7' ' ' LYS . 6.4 tp10 -68.86 147.78 51.21 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.123 0.487 . . . . 71.21 110.534 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -70.75 145.68 50.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.701 . . . . 75.25 111.306 -175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m80 72.07 -26.19 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.436 0.902 . . . . 53.22 113.436 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -61.39 -38.12 85.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.522 0.201 . . . . 73.12 111.008 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -85.88 117.24 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.868 -0.419 . . . . 72.24 109.868 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -67.66 162.97 22.46 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.324 -0.398 . . . . 63.13 111.78 -177.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.0 m80 . . . . . 0 C--O 1.247 0.956 0 N-CA-C 108.689 -0.856 . . . . 52.43 108.689 171.68 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.881 -0.414 . . . . 74.42 109.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -151.47 142.59 16.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.838 0.351 . . . . 70.12 110.802 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.6 116.06 1.0 Allowed Glycine 0 C--O 1.236 0.247 0 N-CA-C 111.363 -0.695 . . . . 65.22 111.363 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt -73.4 -80.19 0.07 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.743 0.306 . . . . 65.43 110.628 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t 179.93 142.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 73.44 109.711 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.23 -177.94 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 73.03 110.413 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -135.15 21.0 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.523 -0.547 . . . . 74.41 109.523 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -108.01 153.29 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 74.34 110.668 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.43 60.01 0.48 Allowed Glycine 0 CA--C 1.506 -0.519 0 N-CA-C 109.811 -1.316 . . . . 73.32 109.811 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.95 -57.59 5.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.58 -0.31 . . . . 74.41 110.519 -171.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 58.5 mt -140.95 79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.953 -0.758 . . . . 74.11 108.953 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.77 108.67 14.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.512 -0.767 . . . . 72.31 111.671 -173.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.526 HG13 HD21 ' A' ' 97' ' ' LEU . 15.9 mm -101.55 99.56 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.781 . . . . 62.41 109.756 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -93.06 116.91 29.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.137 -0.32 . . . . 71.11 110.137 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.5 131.94 16.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.948 0.404 . . . . 64.02 110.933 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 49.63 62.0 2.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.684 -0.689 . . . . 72.12 112.466 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 66.84 5.64 4.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.084 -0.507 . . . . 73.34 112.127 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.06 133.26 53.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.993 0.425 . . . . 74.32 111.071 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -95.55 125.12 39.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.687 -0.688 . . . . 64.21 109.315 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.09 166.11 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.723 -0.473 . . . . 65.21 109.723 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -147.91 152.58 37.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.428 -0.582 . . . . 74.12 109.428 166.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.27 100.99 2.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.076 -0.511 . . . . 61.2 109.99 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.59 -8.12 10.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.318 -0.401 . . . . 53.31 111.416 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 8.0 t-80 -160.79 133.24 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 73.22 110.018 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -130.39 154.52 47.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.327 -0.62 . . . . 64.01 109.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.67 111.88 7.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.018 -0.734 . . . . 75.25 109.018 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 20.2 ttmm 64.83 20.0 12.0 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.75 0.656 . . . . 72.42 110.812 173.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.67 47.03 19.12 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.484 -0.78 . . . . 75.33 110.921 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.19 11.11 59.0 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.623 -0.717 . . . . 75.01 112.308 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -84.6 112.65 20.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.892 0.377 . . . . 74.24 110.663 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -121.86 117.68 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.024 -0.732 . . . . 53.42 109.024 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -56.59 -49.04 76.08 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.089 0.243 . . . . 73.55 110.915 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.03 -44.26 87.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 71.42 111.016 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 65.44 110.253 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.97 -59.06 5.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.503 -0.771 . . . . 75.24 110.855 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 16.6 ptmt -69.64 -34.83 74.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 72.55 111.805 -172.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.44 -28.03 56.45 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.885 0.374 . . . . 64.11 111.668 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 4.3 mmp_? -107.2 9.46 30.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.828 0.347 . . . . 73.1 110.487 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.527 ' HA ' HD22 ' A' ' 60' ' ' LEU . 74.2 t80 -70.22 121.22 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 73.52 110.432 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.715 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 23.8 m -90.87 128.44 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.645 -0.502 . . . . 72.15 109.645 175.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.26 -38.41 68.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.166 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.59 -30.77 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.015 -0.539 . . . . 61.45 111.654 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.715 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 84.0 mt -65.39 -24.36 67.2 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.838 0.351 . . . . 64.2 111.181 -176.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.27 -26.23 64.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.547 . . . . 61.34 111.071 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.97 -13.99 59.9 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.668 -0.696 . . . . 71.23 111.396 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 43' ' ' LEU . 96.5 m-85 -90.7 -20.14 22.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.985 0.365 . . . . 72.02 111.985 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 1.0 OUTLIER 72.53 1.74 4.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.824 0.45 . . . . 75.25 112.183 178.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 25.5 m-85 -136.31 130.13 32.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.962 -0.384 . . . . 72.52 109.962 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -125.24 113.95 37.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 123.493 0.496 . . . . 72.04 109.792 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -124.04 133.55 68.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 75.02 110.513 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.09 128.7 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.824 -0.91 . . . . 62.3 110.824 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -114.13 158.04 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.334 0.588 . . . . 65.21 111.158 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -110.93 28.1 9.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.095 -0.957 . . . . 70.42 109.34 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.63 -63.53 5.02 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.9 -0.591 . . . . 55.33 112.781 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -74.16 -29.48 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.173 0.511 . . . . 74.23 110.241 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.56 -47.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.168 -0.773 . . . . 70.55 111.168 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.6 108.21 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.817 -0.438 . . . . 72.51 109.817 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.89 121.38 9.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 62.14 110.188 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -136.78 136.48 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 70.32 110.116 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 39' ' ' TYR . 6.1 mp -92.99 151.19 20.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.531 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -144.21 155.28 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.676 -0.49 . . . . 75.31 109.676 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 48' ' ' TYR . . . -112.27 143.53 17.57 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.278 -0.487 . . . . 75.02 112.555 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 86.8 m-85 -144.55 177.35 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.981 0.513 . . . . 61.34 109.9 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -124.54 156.85 36.66 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.744 -0.835 . . . . 71.43 108.744 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HA ' HG12 ' A' ' 77' ' ' ILE . 1.3 p30 -78.18 108.19 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 61.43 110.47 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.78 -45.36 94.22 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.362 -0.835 . . . . 65.4 110.117 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 64.65 2.72 1.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 114.776 -1.102 . . . . 74.11 111.526 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -97.47 66.63 2.02 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.547 0.689 . . . . 64.11 109.204 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 44.3 mm-40 -159.86 -146.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.667 -1.151 . . . . 74.31 108.505 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.4 mptt -67.43 81.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.515 -0.92 . . . . 64.42 108.515 173.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.82 -156.7 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.536 -0.756 . . . . 63.23 112.673 -169.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m 78.57 2.23 2.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.652 0.739 . . . . 75.24 110.123 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.545 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 94.7 m-85 -137.42 130.14 30.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.502 -0.772 . . . . 71.43 109.395 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -74.03 -14.89 61.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 71.42 110.965 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 p -95.61 18.22 13.29 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.928 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.545 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 72.6 mmtt -85.67 104.58 15.52 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.071 0.463 . . . . 72.22 111.501 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.666 HG12 ' HA ' ' A' ' 65' ' ' ASP . 49.4 mt -111.32 122.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 71.25 109.781 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -78.27 -44.99 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 72.44 110.107 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.4 t -64.01 -20.11 65.67 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.495 -0.321 . . . . 60.34 110.883 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' H ' HG22 ' A' ' 77' ' ' ILE . 57.9 tp -76.73 -37.2 56.42 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.115 -0.328 . . . . 75.52 110.115 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.05 -42.86 91.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.238 0.542 . . . . 73.21 109.956 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 17.6 mm-40 -64.04 -48.75 75.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.476 -0.784 . . . . 73.11 110.326 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -51.65 -46.71 63.81 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.467 -0.788 . . . . 75.02 111.461 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 80' ' ' LEU . 49.2 mm -63.07 -42.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.317 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -63.91 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.702 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.0 mt-10 -78.64 -49.48 13.12 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.24 -0.436 . . . . 73.24 111.175 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.71 -78.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.32 112.035 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.2 t -84.47 64.95 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.392 0.615 . . . . 74.14 110.644 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -105.88 11.11 32.19 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.474 0.654 . . . . 73.41 110.089 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.11 -162.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.627 -0.715 . . . . 74.35 109.83 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.68 46.83 3.16 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.969 -0.634 . . . . 51.45 112.315 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.2 p -96.66 -164.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.747 0.419 . . . . 74.15 110.544 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.97 32.5 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.041 -0.355 . . . . 41.31 110.041 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -166.63 168.43 14.5 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.863 0.363 . . . . 73.3 110.857 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -141.8 146.49 35.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 75.22 110.212 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 60.3 t -128.32 119.15 49.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 120.789 0.328 . . . . 64.31 110.671 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -107.66 136.59 47.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 74.34 110.024 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.78 139.52 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 75.22 109.877 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 102.05 5.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.682 -0.488 . . . . 74.32 109.682 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 102' ' ' LYS . 42.3 mm -65.04 147.27 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.815 -0.629 . . . . 71.43 109.474 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -77.98 -3.78 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.589 -0.278 . . . . 64.12 111.466 -173.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.548 ' H ' HG22 ' A' ' 100' ' ' ILE . 25.6 mtmm -95.22 169.94 9.74 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 110.224 -0.287 . . . . 73.23 110.224 178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -173.95 110.47 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.195 -0.669 . . . . 45.42 109.195 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -109.61 153.41 24.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.063 -0.517 . . . . 72.02 109.715 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -80.16 170.01 17.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.178 0.514 . . . . 74.12 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -76.66 -8.67 57.72 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.268 0.84 . . . . 75.22 113.268 -167.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 58.64 20.22 7.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 111.673 0.249 . . . . 62.4 111.673 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -74.69 97.96 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 74.12 110.888 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -133.42 -2.87 3.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 71.14 109.874 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.543 -0.741 . . . . 74.11 109.2 179.499 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 111.311 0.115 . . . . 61.24 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.19 105.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.226 0.536 . . . . 72.5 109.711 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.27 -45.33 0.2 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.405 -1.078 . . . . 61.52 110.405 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 89.6 mtp -97.61 113.25 24.94 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.805 -0.813 . . . . 74.25 108.805 171.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m -59.67 128.58 37.66 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.18 0.3 . . . . 71.53 110.733 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -76.26 128.92 35.87 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.528 -0.915 . . . . 71.14 108.528 174.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HE3' ' HB2' ' A' ' 7' ' ' LYS . 28.9 ttmt -95.27 146.17 24.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.168 -0.469 . . . . 62.41 111.505 -168.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 21.8 ptt85 -58.87 166.82 1.8 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.277 -0.874 . . . . 74.32 111.45 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.17 177.91 42.63 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.904 -0.589 . . . . 70.41 112.027 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.548 ' HG2' HG13 ' A' ' 11' ' ' ILE . 36.6 tt0 -155.19 -76.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.652 -0.499 . . . . 62.21 109.652 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.5 mt -132.52 93.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 63.45 109.604 176.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.601 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -103.0 118.98 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 32.23 109.993 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 20.1 mm -99.99 114.05 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.265 -0.425 . . . . 54.32 110.017 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -108.75 111.71 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.984 -0.376 . . . . 74.3 109.984 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -145.46 142.82 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 64.25 109.433 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.3 mm100 58.47 23.35 10.6 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.739 0.304 . . . . 63.43 110.444 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 m120 62.45 36.52 14.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.319 0.581 . . . . 73.11 110.673 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.8 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.583 -0.735 . . . . 64.31 109.14 173.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.43 124.92 50.1 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.177 0.298 . . . . 75.45 110.419 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 53.6 m-85 -122.13 159.15 27.77 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.292 -0.413 . . . . 75.42 110.308 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -125.24 138.63 54.11 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.241 -0.651 . . . . 54.41 109.241 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.6 tp -81.13 100.33 9.0 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.969 0.414 . . . . 65.22 109.994 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.19 -14.8 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 73.54 111.626 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -163.53 132.94 4.05 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.915 0.388 . . . . 73.5 111.621 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 30' ' ' PHE . 49.2 t-20 -123.23 132.65 54.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.16 -1.052 . . . . 65.04 108.16 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 73.2 t80 -122.71 110.18 15.18 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 72.3 109.993 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 55.26 53.09 10.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.649 0.593 . . . . 74.53 111.287 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.64 27.29 15.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.966 0.412 . . . . 73.03 110.52 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.68 96.89 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.746 -0.661 . . . . 53.11 112.719 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 59.9 t80 -73.89 94.84 2.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.234 0.54 . . . . 75.23 111.491 -177.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.513 HD22 ' N ' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -109.08 113.11 25.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.407 -0.96 . . . . 61.52 108.407 169.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.9 tt0 -57.39 -41.75 80.87 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.964 -0.384 . . . . 74.05 109.964 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.35 -44.08 64.99 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.369 -0.832 . . . . 74.32 111.223 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.33 -38.74 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 42.42 110.495 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.74 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 74.12 110.909 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.9 ptmt -63.63 -24.13 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 70.23 111.36 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.15 -26.81 35.78 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.329 -0.396 . . . . 73.12 111.186 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -99.32 -21.48 16.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.351 -0.386 . . . . 62.23 111.152 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.88 131.7 48.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.082 0.468 . . . . 73.53 112.079 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t -124.44 156.89 36.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.38 -0.827 . . . . 72.41 110.062 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.69 -17.04 62.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.269 -0.423 . . . . 52.52 111.131 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -59.22 -28.65 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.24 0.543 . . . . 75.01 110.441 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' A' ' 49' ' ' ILE . 71.2 mt -81.77 -13.93 57.09 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.597 -0.729 . . . . 65.15 111.398 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -60.22 -33.76 72.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.466 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.41 -11.53 60.27 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.236 -0.438 . . . . 44.42 111.974 -175.132 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 97.6 m-85 -89.35 -31.19 17.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.773 -0.194 . . . . 72.42 111.136 -177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 69.03 1.46 3.19 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.139 0.576 . . . . 63.43 112.011 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -134.77 115.32 13.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.162 -0.681 . . . . 73.34 109.162 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.2 mm -112.4 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 73.21 110.338 -175.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 96' ' ' VAL . 61.5 t -113.85 148.34 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.578 -0.527 . . . . 74.01 109.578 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.74 121.3 2.11 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.331 -0.708 . . . . 61.25 111.331 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -103.84 138.37 40.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.002 -0.369 . . . . 75.12 110.002 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -81.83 -30.27 32.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 73.33 109.826 175.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.12 -79.23 0.01 OUTLIER Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.535 -0.757 . . . . 55.32 112.158 -176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -128.89 -21.69 3.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 75.15 110.17 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.41 -31.88 0.39 Allowed Glycine 0 C--O 1.234 0.144 0 N-CA-C 111.054 -0.819 . . . . 74.23 111.054 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.48 88.58 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.392 -0.595 . . . . 71.33 109.392 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 59' ' ' ARG . 1.7 tt -67.97 125.7 27.14 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.389 -174.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 83' ' ' TYR . 22.6 ttm-85 -122.95 132.17 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.705 . . . . 74.41 110.158 -177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.17 141.51 31.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.871 0.367 . . . . 54.12 110.088 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -139.5 130.4 26.22 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.911 -0.774 . . . . 73.23 108.911 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.04 141.04 16.07 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.882 -0.675 . . . . 70.34 111.705 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.66 165.28 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 73.44 110.589 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 154.73 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.896 -0.779 . . . . 64.43 108.896 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -70.69 113.41 7.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 72.32 111.121 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -75.87 -44.06 42.57 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.793 -0.64 . . . . 74.34 109.605 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.542 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 11.1 mm100 -79.79 102.75 9.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.684 . . . . 70.34 109.639 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -94.16 -5.2 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.029 0.442 . . . . 74.13 110.391 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -99.66 168.54 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 35.21 109.939 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -74.42 85.92 2.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 74.51 110.234 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.29 169.01 13.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 61.12 110.402 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.8 m -59.92 -35.41 74.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.088 0.471 . . . . 62.32 110.113 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -109.37 135.19 50.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.087 -0.708 . . . . 72.03 109.087 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -80.87 33.92 0.33 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.367 0.603 . . . . 64.43 111.058 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -152.89 -81.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.92 -0.582 . . . . 74.32 109.46 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 49.8 tptt 44.45 35.01 1.19 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.825 0.821 . . . . 74.0 111.098 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 66.7 mt -57.38 118.34 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.262 -0.881 . . . . 71.43 110.292 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 t -62.33 -44.24 96.96 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.646 -0.252 . . . . 61.04 111.192 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -63.25 -25.98 68.57 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.235 0.541 . . . . 62.1 110.136 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 45.1 tp -75.82 -41.42 52.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 53.54 110.128 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.33 -33.73 71.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.722 -0.672 . . . . 70.21 110.017 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.19 -49.18 15.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.504 -0.771 . . . . 63.12 110.167 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 59' ' ' ARG . 87.7 t80 -53.58 -44.85 69.7 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.373 -0.831 . . . . 64.45 111.628 -176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.72 -48.31 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.429 -0.35 . . . . 65.41 110.661 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -57.81 -27.48 63.17 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.11 -0.495 . . . . 50.52 111.712 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.39 -31.12 57.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.751 0.31 . . . . 75.14 111.156 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -110.75 -56.49 2.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.926 0.394 . . . . 72.54 111.733 -173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.26 114.29 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.13 110.378 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -112.22 -53.73 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.673 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -160.72 150.21 17.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.142 -0.318 . . . . 72.32 110.142 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.19 2.58 67.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.231 -0.509 . . . . 75.33 111.864 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.4 p -112.8 178.29 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.706 0.402 . . . . 71.54 110.039 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -139.07 162.29 35.3 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.474 -0.33 . . . . 65.32 110.986 -176.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.82 177.16 8.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.005 -0.543 . . . . 75.03 109.913 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.7 152.53 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.544 -0.298 . . . . 72.4 110.733 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.457 HG13 HG22 ' A' ' 50' ' ' VAL . 44.4 t -128.75 120.17 51.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.843 0.354 . . . . 72.42 110.612 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.87 136.42 48.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.06 -0.518 . . . . 72.0 110.382 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -111.28 117.38 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.93 -0.577 . . . . 65.43 109.585 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.696 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 2.2 tmm_? -83.11 130.99 35.16 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.764 -0.458 . . . . 60.23 109.764 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mm -76.29 3.93 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.162 -0.472 . . . . 51.42 111.536 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.696 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 17.3 mtp180 57.84 13.9 2.29 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.608 0.718 . . . . 43.04 110.255 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.606 ' HG2' ' N ' ' A' ' 103' ' ' LEU . 21.1 ttmm -134.32 167.24 21.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.179 -0.919 . . . . 74.41 109.776 -170.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.606 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 2.8 tm? -145.8 93.83 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 168.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.1 86.27 7.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.563 . . . . 62.34 109.818 -175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -77.03 124.77 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.434 -0.803 . . . . 71.55 111.252 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -66.01 148.47 51.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.858 -0.61 . . . . 71.45 109.655 171.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -154.12 139.53 17.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.674 0.273 . . . . 65.42 110.787 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -77.02 137.19 38.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.076 -0.511 . . . . 73.43 110.18 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.64 -5.73 19.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.778 . . . . 72.03 108.898 170.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-N 114.834 -1.076 . . . . 74.05 108.835 178.27 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.839 -0.43 . . . . 63.42 109.839 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 pt -67.49 -33.03 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.0 0.429 . . . . 74.35 110.644 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.07 146.46 18.12 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.235 -0.746 . . . . 31.2 111.235 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.5 mmt -107.58 170.58 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.65 0.262 . . . . 60.31 110.892 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -60.8 134.6 57.25 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 63.03 111.101 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -105.47 94.14 5.05 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.01 -0.541 . . . . 63.2 110.503 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -97.0 -23.79 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 64.42 110.303 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -139.22 140.47 37.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.903 -0.589 . . . . 73.14 110.189 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.81 143.49 14.37 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.096 -0.502 . . . . 73.42 112.858 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.26 -55.5 4.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.382 -0.97 . . . . 73.43 108.382 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HD23 ' A' ' 22' ' ' LEU . 63.8 mt -136.62 90.68 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.602 -0.888 . . . . 62.45 108.602 171.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.51 131.42 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 73.12 110.302 -176.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 24.0 mm -113.83 121.91 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.345 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.72 112.7 24.57 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.981 -0.377 . . . . 70.52 109.981 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 16' ' ' GLN . 8.9 tt -146.93 147.02 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.362 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.0 mm100 53.38 28.24 7.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.897 0.479 . . . . 54.14 111.535 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 45.0 m-80 64.21 44.57 4.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.933 -0.576 . . . . 64.42 110.809 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.59 138.88 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.572 . . . . 74.34 109.625 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 100' ' ' ILE . 19.1 tt0 -90.46 140.38 29.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.586 -0.524 . . . . 73.43 109.586 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 90.5 m-85 -134.43 158.9 42.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.954 -0.387 . . . . 75.33 109.954 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -131.28 145.1 51.75 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.524 -0.547 . . . . 64.51 109.524 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.447 HD23 HD12 ' A' ' 11' ' ' ILE . 50.9 tp -80.6 117.84 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.699 -0.482 . . . . 72.12 109.699 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -104.87 -22.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.606 0.241 . . . . 72.33 111.444 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.98 138.86 20.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.706 0.288 . . . . 73.01 111.033 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 22' ' ' LEU . 32.4 t30 -157.57 142.74 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.629 -0.714 . . . . 74.41 109.547 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' HD1' ' HB2' ' A' ' 27' ' ' LYS . 13.6 t80 -149.28 136.67 20.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.688 -0.486 . . . . 72.13 109.688 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 65.16 28.28 12.2 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.709 0.631 . . . . 60.42 110.567 176.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.6 25.93 12.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 71.31 110.351 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.55 -29.34 60.79 Favored Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.786 -0.643 . . . . 51.33 112.31 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -70.1 97.52 1.19 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.372 0.606 . . . . 65.52 110.983 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.9 106.8 14.87 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.231 -0.895 . . . . 75.04 108.6 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 40.5 tt0 -49.56 -44.72 46.96 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.443 0.464 . . . . 74.32 110.977 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.33 -35.99 72.73 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.039 -0.528 . . . . 72.33 111.151 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.88 62.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.004 0.43 . . . . 73.2 110.292 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.8 -57.86 10.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.653 -0.703 . . . . 74.01 110.694 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.5 ptmm? -61.39 -29.34 69.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.527 . . . . 75.52 111.311 -177.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.2 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.956 0.407 . . . . 61.55 110.774 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -78.47 -26.85 46.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 73.12 111.521 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.27 124.06 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.155 0.502 . . . . 74.01 111.704 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.7 t -118.33 152.71 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 70.11 108.671 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -60.32 -31.6 70.44 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.622 0.249 . . . . 61.22 111.425 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.0 tp -61.15 -28.94 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.892 0.377 . . . . 54.23 111.159 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.63 -18.95 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.76 0.314 . . . . 72.44 111.308 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.7 -27.05 68.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.457 -0.338 . . . . 65.21 111.335 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.03 -18.37 65.3 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.307 -0.406 . . . . 72.44 111.374 -176.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 48' ' ' TYR . 95.6 m-85 -82.98 -25.06 32.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.438 -0.346 . . . . 62.54 110.301 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 3.2 p30 48.26 11.09 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.688 1.195 . . . . 43.31 113.744 -174.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' H ' ' C ' ' A' ' 46' ' ' TYR . 69.3 m-85 -137.24 114.53 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.332 -0.988 . . . . 72.13 108.332 169.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mm -114.51 114.85 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 73.33 110.381 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 80' ' ' LEU . 99.5 t -104.66 111.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.202 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.54 119.81 5.95 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.933 -0.867 . . . . 73.52 110.933 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -120.0 129.01 54.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -85.4 -41.91 15.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.634 -0.506 . . . . 74.41 109.634 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.49 -90.99 0.01 OUTLIER Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.444 -0.798 . . . . 72.44 114.071 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -88.32 1.78 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 72.5 111.218 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.37 26.69 6.45 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.148 -0.478 . . . . 42.12 112.039 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -138.5 119.08 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 65.54 109.718 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -82.04 108.96 15.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 72.42 110.202 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 59' ' ' ARG . 41.2 ttm180 -124.72 140.17 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 71.4 109.593 176.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.82 112.37 24.31 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.038 0.447 . . . . 61.13 110.014 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -105.47 122.51 46.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.589 -0.893 . . . . 64.23 108.589 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.55 142.67 18.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.87 -0.681 . . . . 70.34 112.666 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -130.13 168.44 16.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 64.43 110.328 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -107.65 170.2 8.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.962 -0.563 . . . . 73.21 109.843 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -61.59 130.3 45.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.046 0.451 . . . . 73.54 110.239 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' HG23 ' A' ' 77' ' ' ILE . 28.2 t70 -118.45 166.91 12.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.895 -0.593 . . . . 72.43 109.986 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' GLN . 28.2 mm-40 68.08 -73.39 0.08 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.833 0.708 . . . . 53.41 109.519 -175.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.0 t30 53.69 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.62 0.768 . . . . 73.2 112.489 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' GLN . 40.0 mt-30 -85.04 -33.11 22.56 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.827 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -87.75 87.03 7.25 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.784 -0.45 . . . . 74.13 109.784 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 66.63 140.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.682 -0.69 . . . . 72.5 111.062 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -79.13 80.59 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.523 . . . . 62.52 111.29 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -114.89 98.57 6.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 73.21 109.897 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.79 -29.23 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.232 0.539 . . . . 53.25 110.065 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -84.76 -25.68 28.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 64.23 111.65 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -110.53 116.13 30.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.928 0.395 . . . . 75.3 111.479 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 66' ' ' ASP . 65.9 mt -95.3 112.03 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.866 -0.791 . . . . 75.02 108.866 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -62.85 -47.06 85.01 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.672 -0.24 . . . . 72.33 111.349 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -62.59 -24.59 67.64 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.933 0.397 . . . . 71.44 110.636 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD21 HG21 ' A' ' 96' ' ' VAL . 60.3 tp -73.76 -38.14 64.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.155 -0.475 . . . . 61.15 110.282 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.66 -39.25 73.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 60.5 109.979 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.3 -38.15 60.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 65.2 110.218 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.29 -55.14 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.288 -0.869 . . . . 62.24 110.857 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.48 HG23 ' HB3' ' A' ' 88' ' ' CYS . 49.3 mm -60.92 -37.5 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 73.31 110.41 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.22 -28.64 63.07 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.745 -0.662 . . . . 74.42 110.512 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.43 -51.82 7.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.951 -0.568 . . . . 72.25 110.756 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -80.2 -84.81 0.09 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.989 -0.55 . . . . 74.52 111.38 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.48 ' HB3' HG23 ' A' ' 84' ' ' ILE . 38.8 t -75.84 97.44 3.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.853 0.358 . . . . 44.11 110.276 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -49.63 119.68 3.63 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.032 -0.531 . . . . 63.22 110.009 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -44.81 98.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.749 0.656 . . . . 73.43 110.758 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -22.38 1.19 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.222 -0.899 . . . . 71.21 111.019 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.434 ' SG ' ' C ' ' A' ' 88' ' ' CYS . 3.9 p -88.75 -167.89 2.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.436 0.294 . . . . 65.3 110.473 175.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.17 133.8 49.34 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.388 0.514 . . . . 70.52 112.388 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -160.0 167.02 28.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.487 -0.779 . . . . 75.01 109.129 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -158.06 160.23 37.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.73 0.3 . . . . 70.25 110.827 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.454 HG21 HD21 ' A' ' 80' ' ' LEU . 40.9 t -139.93 123.17 17.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.358 -0.383 . . . . 63.15 110.205 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 13' ' ' ILE . 10.0 mp -107.39 140.99 39.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.973 0.416 . . . . 72.43 110.812 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -111.21 130.39 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.331 -0.85 . . . . 75.35 109.653 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 47' ' ' ASP . 3.7 tmm_? -79.38 122.28 26.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.097 0.475 . . . . 71.33 110.465 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 39.5 mm -85.16 144.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 74.22 110.011 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' H ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -90.15 58.42 4.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.084 0.469 . . . . 75.13 111.056 -178.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 39.0 mttt -153.76 151.52 29.68 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.65 -0.704 . . . . 73.03 110.623 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 104' ' ' GLU . 1.3 tm? 175.38 143.67 0.06 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.694 -1.225 . . . . 73.25 107.694 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.614 ' N ' HD13 ' A' ' 103' ' ' LEU . 1.8 mp0 -57.36 121.9 11.3 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.724 0.297 . . . . 74.03 111.083 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -68.0 113.42 5.67 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.564 -0.902 . . . . 73.41 108.564 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -58.64 -19.38 38.48 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.448 0.536 . . . . 75.21 112.448 -170.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -81.24 52.03 1.73 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.043 0.449 . . . . 73.22 110.393 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -91.1 3.46 54.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.101 -0.5 . . . . 74.34 110.42 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -157.0 168.15 28.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 64.33 110.291 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.352 -0.832 . . . . 74.13 109.473 -179.682 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.942 0.401 . . . . 74.42 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -113.2 121.29 65.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.317 -0.402 . . . . 62.32 110.296 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.77 15.03 66.16 Favored Glycine 0 C--N 1.33 0.244 0 CA-C-N 116.203 -0.453 . . . . 74.44 113.147 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.2 ttm -66.1 152.08 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.208 -0.293 . . . . 64.04 110.208 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -57.0 104.21 0.15 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.291 0.567 . . . . 51.04 112.331 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -94.72 141.37 28.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.449 -0.796 . . . . 70.04 109.306 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -133.11 -61.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.024 0.44 . . . . 73.34 110.377 -177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -164.56 29.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.554 . . . . 74.02 110.211 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.0 -110.76 2.59 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.099 -0.801 . . . . 55.31 111.099 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 11' ' ' ILE . 34.3 tt0 -159.97 -60.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.778 0.289 . . . . 42.23 110.422 175.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' HG2' ' A' ' 10' ' ' GLU . 68.0 mt -130.63 101.94 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.301 -0.409 . . . . 72.25 110.34 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.9 OUTLIER -106.85 135.42 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.812 -0.44 . . . . 74.1 109.812 177.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 HD21 ' A' ' 97' ' ' LEU . 23.4 mm -110.2 108.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 62.22 110.625 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -99.46 126.86 45.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.023 0.44 . . . . 71.15 110.06 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.79 HG12 ' H ' ' A' ' 16' ' ' GLN . 11.0 tt -144.82 -173.09 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.334 -0.617 . . . . 62.51 109.334 -175.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.79 ' H ' HG12 ' A' ' 15' ' ' ILE . 15.6 mm100 -43.03 99.9 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.226 0.61 . . . . 72.22 112.561 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER 55.95 27.58 11.37 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.881 -0.599 . . . . 75.02 111.393 173.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.4 132.82 22.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.842 0.353 . . . . 71.1 111.457 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' HB2' HD23 ' A' ' 103' ' ' LEU . 32.7 tt0 -117.69 119.22 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.546 -0.909 . . . . 73.44 108.546 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.13 168.63 11.01 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.295 0.238 . . . . 70.22 110.513 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' MET . 14.8 pt-20 -136.87 143.67 43.15 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 109.601 -0.518 . . . . 74.43 109.601 169.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 43.6 tp -79.54 100.38 7.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 61.41 109.604 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.38 -16.51 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.108 -0.496 . . . . 63.31 111.262 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -159.28 133.64 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.555 -0.293 . . . . 62.41 110.508 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 28' ' ' ASP . 50.2 t30 -144.03 114.6 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 63.12 109.905 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -102.99 130.23 50.02 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.5 -0.318 . . . . 71.33 110.222 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.47 13.51 8.9 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.125 0.57 . . . . 75.31 110.682 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 m-20 54.99 33.02 19.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.657 -0.701 . . . . 75.01 110.336 -172.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.89 -4.38 40.83 Favored Glycine 0 C--N 1.334 0.442 0 CA-C-N 115.467 -0.788 . . . . 25.41 112.767 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 71.3 t80 -62.02 103.1 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 75.33 110.767 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' OD1' ' HG3' ' A' ' 33' ' ' GLU . 24.9 t-20 -110.3 101.5 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.829 -0.804 . . . . 61.42 108.829 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -56.18 -51.69 67.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.875 -0.602 . . . . 75.04 111.817 -172.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HG3' ' OD1' ' A' ' 31' ' ' ASN . 7.3 pt-20 -55.77 -39.69 71.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.454 -0.339 . . . . 75.25 111.311 -177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HG ' ' A' ' 58' ' ' LEU . . . -67.18 -44.83 78.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.93 0.395 . . . . 73.32 110.558 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.36 -57.06 14.3 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.69 -0.686 . . . . 71.31 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.28 -19.36 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 73.44 111.7 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.56 -24.03 34.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.811 0.338 . . . . 71.11 111.169 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 5.6 mmp_? -109.2 -4.14 16.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.331 -0.395 . . . . 75.44 111.555 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 60' ' ' LEU . 85.3 t80 -60.54 115.69 3.78 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.856 0.36 . . . . 74.35 111.858 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 45.6 m -95.44 122.2 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 74.44 109.46 173.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -50.59 -40.68 53.13 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.34 0.496 . . . . 63.25 112.34 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tp -55.16 -28.16 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 120.981 0.419 . . . . 75.5 111.875 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' A' ' 40' ' ' SER . 93.1 mt -67.6 -21.14 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 72.14 111.645 -176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.81 -28.61 66.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.005 0.431 . . . . 75.35 111.124 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -60.75 -31.94 71.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.83 -0.623 . . . . 64.54 111.363 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.554 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 34.8 m-85 -68.91 -24.2 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 74.41 111.614 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t70 72.61 -0.69 3.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.246 0.618 . . . . 43.03 111.007 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -145.95 115.43 7.16 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.282 -0.417 . . . . 73.51 110.068 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 43' ' ' LEU . 34.6 mm -117.62 117.15 54.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.248 -0.433 . . . . 64.41 109.921 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 96' ' ' VAL . 43.6 t -116.78 122.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.554 -0.294 . . . . 74.13 110.532 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -105.23 121.68 6.96 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.66 -0.576 . . . . 65.02 111.66 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -111.22 153.59 25.62 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.044 0.45 . . . . 62.43 111.24 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -111.15 37.34 2.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.474 -0.785 . . . . 75.44 109.661 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -56.34 15.81 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.725 -0.67 . . . . 60.4 113.525 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.57 1.73 56.61 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.936 0.398 . . . . 72.24 110.069 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.58 -26.29 20.69 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.432 -1.067 . . . . 75.34 110.432 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.65 123.06 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.638 -0.505 . . . . 65.45 109.638 173.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.44 ' HG ' ' HB1' ' A' ' 34' ' ' ALA . 3.0 tm? -71.67 109.28 5.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.153 -0.684 . . . . 75.42 109.153 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.553 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 4.0 mmp_? -114.66 130.18 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.083 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' TYR . 11.1 mp -93.81 113.65 25.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.811 -0.44 . . . . 64.23 109.811 171.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -109.5 121.77 45.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.893 -0.594 . . . . 72.22 109.444 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.08 133.34 11.7 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.11 -0.567 . . . . 64.2 112.025 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 89.2 m-85 -125.76 164.25 21.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 75.13 110.746 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.92 171.69 7.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 74.34 109.86 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.38 131.6 51.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.998 0.428 . . . . 70.41 110.526 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.542 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 10.0 t70 -121.46 -88.1 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.593 -0.73 . . . . 73.13 109.23 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -79.67 86.96 5.23 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.454 -0.573 . . . . 74.21 109.454 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -70.93 173.81 6.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 62.11 111.256 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.6 96.33 0.26 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.668 -0.696 . . . . 72.45 110.832 -175.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -140.27 27.55 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.008 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 65.14 99.95 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.519 -0.764 . . . . 54.24 110.962 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 74' ' ' GLU . 6.6 t -178.11 -168.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.435 -0.95 . . . . 63.21 108.435 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.09 -40.79 67.56 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.224 -1.028 . . . . 53.23 108.224 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 72' ' ' THR . 14.4 tt0 69.34 156.41 0.14 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.565 -1.198 . . . . 71.34 110.864 171.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 p 52.12 15.93 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.187 0.595 . . . . 62.23 111.763 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.56 78.69 4.33 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.334 -0.617 . . . . 61.51 109.334 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 55.6 mt -62.21 108.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 71.11 110.467 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -57.68 -50.09 74.32 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.101 -0.499 . . . . 73.23 111.131 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 t -61.2 -26.64 67.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.014 0.435 . . . . 75.44 110.79 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 31.9 tp -72.32 -40.63 67.3 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.191 -0.458 . . . . 65.33 110.123 176.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.47 -39.46 87.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 70.23 109.549 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.0 -29.57 66.68 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.267 -0.879 . . . . 72.23 110.371 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -71.02 -40.64 71.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.627 -0.715 . . . . 75.24 110.616 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.01 -37.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 75.21 110.278 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.39 -17.79 60.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.916 -0.583 . . . . 71.34 111.269 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.27 -29.4 63.86 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 75.25 111.186 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -110.91 -49.41 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.433 0.635 . . . . 63.13 111.043 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 92' ' ' CYS . 55.8 m -94.5 114.18 26.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.007 -0.997 . . . . 63.33 111.896 -168.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -91.38 -44.19 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.671 -0.863 . . . . 53.33 108.671 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -152.15 -65.46 0.17 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.364 -0.834 . . . . 62.51 109.47 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.45 107.69 2.03 Favored Glycine 0 C--N 1.334 0.446 0 N-CA-C 110.753 -0.939 . . . . 74.52 110.753 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 88' ' ' CYS . 51.1 t -143.89 168.42 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 64.43 111.107 -172.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -164.97 118.24 1.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.712 -0.676 . . . . 74.22 109.814 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -161.36 160.64 29.84 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.794 -0.447 . . . . 72.41 109.794 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 30.1 p90 -136.08 140.28 43.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 50.43 110.802 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 50' ' ' VAL . 43.5 t -117.82 117.63 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.39 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 13' ' ' ILE . 10.2 mp -108.53 136.76 47.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.771 -0.65 . . . . 72.32 110.022 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -107.45 143.29 36.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.457 -0.571 . . . . 65.42 109.457 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -75.52 116.85 16.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 61.13 110.947 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 102' ' ' LYS . 49.6 mm -76.28 111.57 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.886 -1.153 . . . . 73.11 107.886 168.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -69.88 78.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.093 0.949 . . . . 73.54 109.369 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HB3' HG22 ' A' ' 100' ' ' ILE . 31.7 tttm 175.92 136.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 113.519 -1.673 . . . . 50.11 108.536 -171.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? -179.62 107.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.196 -1.039 . . . . 65.11 108.196 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.93 108.2 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.51 0.672 . . . . 73.02 110.526 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -132.55 116.29 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.859 -1.064 . . . . 71.31 109.09 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -64.94 77.82 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.669 0.747 . . . . 71.23 110.927 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -90.99 134.56 34.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 63.34 109.705 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -51.65 116.96 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.46 0.475 . . . . 72.4 110.426 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -138.97 158.25 44.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.118 -0.492 . . . . 63.51 109.893 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.245 0.86 0 N-CA-C 109.441 -0.577 . . . . 74.35 109.441 177.046 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 109.958 -0.386 . . . . 73.21 109.958 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.54 139.29 47.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 120.72 0.295 . . . . 50.01 110.774 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.66 83.82 0.56 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.205 -0.521 . . . . 42.51 111.847 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.65 -41.8 92.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.128 0.49 . . . . 74.41 110.104 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -126.07 -2.73 7.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.595 -0.729 . . . . 74.42 109.266 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 9.2 mp0 -92.52 8.45 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.299 -0.864 . . . . 55.3 109.885 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -70.64 83.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 74.52 110.901 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.618 ' NH2' HG21 ' A' ' 100' ' ' ILE . 48.3 tpt85 -85.84 -39.87 16.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 73.42 109.889 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.12 -169.61 18.45 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.231 -1.148 . . . . 74.2 110.231 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.7 -50.53 64.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 117.674 0.737 . . . . 72.03 109.603 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.498 HD12 HD23 ' A' ' 22' ' ' LEU . 49.9 mt -127.09 87.52 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.772 -0.649 . . . . 53.3 109.312 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.487 -0.779 . . . . 73.01 110.506 -179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 97' ' ' LEU . 20.5 mm -120.99 98.86 6.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.488 -0.56 . . . . 73.05 109.488 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.42 122.24 43.91 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.417 -0.586 . . . . 60.35 109.417 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.0 tt -150.73 136.95 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.574 -0.285 . . . . 72.12 110.978 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.9 mm-40 53.99 45.97 26.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.004 -0.543 . . . . 71.53 111.654 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 58.08 38.66 26.58 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.031 -0.531 . . . . 65.32 110.805 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.21 142.1 42.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 44.15 110.325 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 103' ' ' LEU . 40.5 tt0 -101.95 114.18 28.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.596 -0.729 . . . . 75.22 110.383 -176.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 78.7 m-85 -120.04 164.47 16.09 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.617 -0.512 . . . . 61.23 109.617 175.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 100' ' ' ILE . 11.0 pt-20 -147.05 149.29 32.8 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.929 -0.767 . . . . 72.1 108.929 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD23 HD12 ' A' ' 11' ' ' ILE . 57.7 tp -74.29 102.97 4.52 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.651 -0.5 . . . . 72.35 109.651 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -92.5 -22.92 5.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.068 -0.515 . . . . 75.01 111.417 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.5 t60 -156.77 135.32 11.51 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.308 -0.256 . . . . 64.33 110.308 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 28' ' ' ASP . 34.4 t30 -143.71 137.74 28.37 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -137.3 135.3 36.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.058 -0.349 . . . . 64.21 110.058 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.65 19.58 11.44 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.985 -0.552 . . . . 64.24 110.737 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 25' ' ' ASN . 30.3 m-20 57.26 32.14 21.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.955 -0.566 . . . . 75.12 110.774 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -16.66 64.12 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.995 -0.548 . . . . 61.11 112.502 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.31 130.61 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.73 0.3 . . . . 74.54 111.175 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.59 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.1 t-20 -154.47 125.44 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.106 -0.702 . . . . 75.21 109.106 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 26.6 tt0 -61.14 -50.66 72.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.504 -0.317 . . . . 72.02 111.571 -174.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.59 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.8 pt-20 -58.82 -32.94 69.83 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.732 0.301 . . . . 71.21 111.161 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' HD23 ' A' ' 58' ' ' LEU . . . -78.3 -42.07 31.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 71.4 110.359 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.94 -58.06 10.06 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.783 -0.644 . . . . 75.3 110.989 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.7 ptmt -63.7 -19.76 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 74.31 111.488 -174.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.58 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 73.51 110.849 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.8 mmp_? -92.54 -1.45 56.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.362 -0.381 . . . . 65.05 111.725 -176.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.86 142.16 58.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.817 -0.438 . . . . 72.15 109.817 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.416 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.2 t -139.98 158.27 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 72.53 110.373 -177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.46 -47.64 84.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.621 -0.718 . . . . 74.22 112.082 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 tp -57.05 -31.22 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.01 0.434 . . . . 75.24 111.337 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.591 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 88.6 mt -67.58 -30.14 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 64.54 111.13 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -55.02 -45.65 75.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 70.34 112.105 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -70.31 -12.84 61.86 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.444 0.535 . . . . 62.32 112.444 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.591 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 70.6 m-85 -71.63 -26.48 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.36 -0.212 . . . . 74.53 110.5 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 19.0 t70 76.59 -0.31 3.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.332 0.653 . . . . 74.23 110.901 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -142.97 127.12 17.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.485 . . . . 71.14 110.221 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 43' ' ' LEU . 24.0 mm -119.31 113.49 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.496 -0.557 . . . . 73.1 109.496 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.8 p -124.87 120.84 59.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.81 0.338 . . . . 45.31 110.31 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.02 125.73 8.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.189 -0.529 . . . . 73.31 112.147 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -104.65 133.84 48.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.924 0.393 . . . . 73.22 110.285 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.413 ' CZ2' HD22 ' A' ' 58' ' ' LEU . 77.0 m95 -97.02 -0.71 46.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.834 -0.621 . . . . 72.55 109.756 173.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.3 92.99 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 115.765 -0.652 . . . . 74.31 112.712 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.17 -14.91 63.25 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.913 0.387 . . . . 75.31 110.577 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.37 -51.35 0.7 Allowed Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 111.573 -0.611 . . . . 52.31 111.573 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -103.98 131.47 51.2 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.316 -0.624 . . . . 72.41 109.316 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 ' HB1' ' A' ' 34' ' ' ALA . 59.9 tp -56.39 117.05 3.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.188 0.518 . . . . 74.12 111.943 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.539 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 29.0 ttm105 -113.04 129.16 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.512 -0.767 . . . . 73.12 109.619 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 38' ' ' ARG . 10.1 mp -94.37 107.5 19.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.432 -0.581 . . . . 60.3 109.432 173.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -99.12 163.03 12.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.713 -0.676 . . . . 75.4 109.409 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.26 144.62 15.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.979 -0.629 . . . . 75.12 112.357 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -137.78 168.3 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.866 -0.42 . . . . 75.31 109.866 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.98 164.83 11.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.611 -0.514 . . . . 65.25 109.611 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.51 109.56 1.05 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.517 0.675 . . . . 61.3 110.492 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 77' ' ' ILE . 25.9 t0 -103.24 167.93 9.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.135 -0.939 . . . . 73.14 109.672 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 63.62 30.07 15.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.823 0.344 . . . . 75.32 111.185 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -61.0 92.34 0.03 OUTLIER 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.363 0.601 . . . . 75.1 110.415 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -150.81 168.92 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.096 -0.957 . . . . 71.0 108.927 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.26 -16.99 61.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.816 0.341 . . . . 72.13 110.987 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.44 111.43 0.53 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.107 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -81.87 106.72 14.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.161 0.505 . . . . 73.14 111.358 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -136.95 148.25 46.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 72.33 109.48 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -80.82 -38.98 27.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.553 -0.294 . . . . 63.55 110.705 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -155.59 103.09 2.27 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.507 . . . . 64.42 110.666 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -145.97 133.8 21.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.687 0.28 . . . . 62.21 110.273 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 80' ' ' LEU . 61.6 mt -144.38 114.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.004 -0.739 . . . . 74.31 109.004 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -72.44 -45.51 59.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 73.02 111.076 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -61.69 -18.91 61.52 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.986 0.422 . . . . 75.24 110.853 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' H ' HG22 ' A' ' 77' ' ' ILE . 50.6 tp -64.04 -47.64 79.42 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 109.703 -0.48 . . . . 74.35 109.703 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.53 -41.06 96.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.641 -0.709 . . . . 60.42 110.081 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.06 -38.23 78.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.653 -0.703 . . . . 73.12 110.706 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -71.89 -48.72 43.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.72 -0.673 . . . . 74.43 110.621 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 88' ' ' CYS . 46.9 mm -57.85 -41.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 72.02 110.28 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -56.42 -26.02 52.1 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.621 . . . . 71.53 111.641 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.92 -56.61 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.361 -0.381 . . . . 73.13 111.51 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -88.1 -42.34 12.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 75.55 111.413 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 44.3 t -113.21 85.44 2.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 71.44 110.431 -174.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -69.32 150.82 46.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.979 -0.555 . . . . 74.22 110.784 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.0 t80 67.01 -73.59 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.776 0.672 . . . . 74.5 110.776 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.46 75.89 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.521 -0.632 . . . . 64.1 111.521 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.5 p -89.02 -157.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.264 -0.273 . . . . 74.12 110.264 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.59 127.44 32.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.873 0.368 . . . . 72.31 111.599 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -165.21 155.04 13.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.754 -0.657 . . . . 65.24 109.607 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.43 152.1 42.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.5 -0.318 . . . . 63.54 110.554 -177.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 46.5 t -129.48 121.85 54.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 123.504 0.503 . . . . 73.24 110.91 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 11.3 mp -111.91 147.77 35.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.029 -0.73 . . . . 54.11 109.029 171.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -113.07 133.68 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.181 -0.303 . . . . 64.01 110.181 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 6.5 tmm_? -74.92 93.17 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.867 -1.16 . . . . 72.42 107.867 174.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.618 HG21 ' NH2' ' A' ' 8' ' ' ARG . 40.8 mm -61.14 -71.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 65.44 111.791 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -167.0 -170.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.0 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -85.32 75.88 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.42 0.526 . . . . 73.1 112.42 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.5 mm? 50.97 103.94 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.299 0.999 . . . . 44.24 113.156 165.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -91.68 124.56 35.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 74.12 111.752 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -79.59 63.44 4.18 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.794 -0.639 . . . . 71.34 109.782 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -79.2 72.66 5.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 72.41 110.834 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -86.93 -13.39 44.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 70.41 110.399 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -74.6 86.67 2.12 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.696 -0.483 . . . . 64.03 109.696 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 110' ' ' HIS . 38.2 t-80 -87.16 -23.03 24.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 74.25 110.617 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 109' ' ' HIS . 4.1 p-80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 124.761 1.224 . . . . 73.52 110.893 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.646 0.26 . . . . 73.41 110.387 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.23 86.66 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.685 -0.487 . . . . 73.31 109.685 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.62 107.95 3.26 Favored Glycine 0 C--O 1.238 0.356 0 CA-C-N 115.635 -0.712 . . . . 54.51 111.363 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.29 90.37 0.1 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.833 0.349 . . . . 62.14 110.901 -177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 p -80.64 61.74 4.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.496 0.665 . . . . 74.12 110.581 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.54 80.85 6.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.381 -0.827 . . . . 54.2 110.089 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -98.07 -66.89 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.626 -0.715 . . . . 74.24 109.863 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -163.9 144.97 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.515 -0.766 . . . . 72.33 109.392 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.63 148.93 12.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 55.52 111.78 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.27 -63.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.502 -0.555 . . . . 64.31 109.502 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 22' ' ' LEU . 75.8 mt -143.85 93.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.591 -0.731 . . . . 71.3 109.211 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.07 122.11 41.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.044 -0.525 . . . . 75.43 110.694 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG13 HD21 ' A' ' 97' ' ' LEU . 32.1 mm -107.32 101.24 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 44.42 110.236 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.5 mp -92.88 111.13 22.63 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.682 -0.488 . . . . 73.12 109.682 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.589 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.2 tt -141.94 134.07 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.306 -0.406 . . . . 51.41 110.871 -176.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.589 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.0 mm-40 52.81 39.95 29.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.867 0.467 . . . . 73.24 111.27 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 58.38 43.97 19.02 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.39 0.614 . . . . 61.54 110.778 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.3 118.53 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 63.34 109.681 174.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.98 116.3 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 72.32 110.117 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -115.09 167.15 11.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.436 -0.347 . . . . 73.31 110.315 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 12.4 pt-20 -134.3 144.1 48.13 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.51 -0.552 . . . . 64.23 109.51 171.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 25' ' ' ASN . 48.2 tp -82.14 100.93 10.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.682 -0.488 . . . . 63.3 109.682 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.78 -29.17 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 74.31 111.163 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -146.57 133.59 20.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.6 -0.273 . . . . 63.44 110.644 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' A' ' 22' ' ' LEU . 41.0 t30 -140.12 108.43 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.45 -0.574 . . . . 75.21 109.45 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 33.6 t80 -93.29 126.32 38.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 60.3 110.726 -176.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 9.9 mmpt? 60.71 23.41 13.28 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.713 0.633 . . . . 72.21 111.503 175.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.47 38.48 28.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.146 0.498 . . . . 74.3 110.99 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -77.34 -1.81 76.92 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.803 -0.635 . . . . 62.32 112.88 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.3 97.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 51.45 111.177 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -112.03 102.26 10.49 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.47 -0.567 . . . . 75.11 109.47 172.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.533 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 17.6 tt0 -55.18 -42.62 73.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.747 -176.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.03 -40.39 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 71.51 111.282 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.91 57.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.228 0.537 . . . . 75.11 110.162 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HD11 ' A' ' 60' ' ' LEU . 66.6 t80 -57.82 -58.56 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 63.23 111.152 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.5 ptmt -68.32 -19.46 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 72.14 111.403 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -42.99 19.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.214 -0.448 . . . . 54.11 110.798 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.8 mmp_? -89.18 -6.39 56.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.292 -177.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -57.07 139.18 53.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 73.51 110.474 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 m -132.39 152.4 51.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.485 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.19 -41.26 79.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.226 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.508 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 8.0 tp -58.49 -28.44 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 116.007 -0.542 . . . . 74.15 111.445 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' A' ' 49' ' ' ILE . 95.5 mt -73.73 -24.75 59.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 44.41 111.807 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.62 -27.07 66.0 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.42 0.526 . . . . 74.54 112.42 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -79.66 -20.37 46.82 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.948 0.722 . . . . 61.32 112.948 -172.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.9 m-85 -72.2 -25.68 61.76 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.988 0.736 . . . . 70.14 112.988 -170.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.7 m-20 69.11 0.29 2.76 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.831 0.452 . . . . 74.33 111.64 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.863 0.465 . . . . 72.33 109.804 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.547 HD12 ' HB3' ' A' ' 43' ' ' LEU . 43.8 mm -118.6 115.12 47.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.33 109.897 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 96' ' ' VAL . 68.1 t -112.83 125.03 70.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.288 -0.415 . . . . 74.12 110.007 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -101.64 120.25 6.79 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.928 -0.869 . . . . 34.34 110.928 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -111.4 152.07 27.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.118 -0.327 . . . . 65.21 110.118 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -104.61 39.1 1.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.138 -0.483 . . . . 75.12 109.867 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.92 128.74 48.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.576 -0.738 . . . . 74.04 111.961 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.0 t80 67.75 1.73 2.76 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.019 0.527 . . . . 54.25 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.57 -7.09 45.79 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 121.209 -0.519 . . . . 62.42 112.836 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.73 134.09 48.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.28 -0.267 . . . . 71.52 110.28 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.6 120.24 23.66 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.984 -0.376 . . . . 64.54 109.984 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.516 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 19.8 ttm180 -126.45 142.5 51.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 61.23 110.549 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.8 mp -100.16 112.09 24.4 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.487 -0.56 . . . . 72.12 109.487 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 9.8 tmtt? -106.96 129.76 54.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 63.33 108.784 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -86.32 127.85 8.56 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.874 -0.679 . . . . 50.05 111.994 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 94.7 m-85 -118.48 161.81 19.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.32 . . . . 72.42 110.44 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.88 170.03 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.078 -0.51 . . . . 74.32 109.823 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.33 132.31 40.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 74.3 110.779 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.57 172.69 7.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.009 -0.541 . . . . 72.42 110.722 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 63.92 -4.44 0.37 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.237 -0.892 . . . . 65.43 113.379 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -73.77 76.23 1.58 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.718 0.771 . . . . 74.03 109.39 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -166.02 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.242 -1.345 . . . . 73.52 108.266 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -135.9 136.65 40.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.853 -1.067 . . . . 71.23 108.291 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.98 87.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.995 0.426 . . . . 70.44 111.004 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 m -111.14 -79.36 0.58 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.002 -0.545 . . . . 73.11 110.366 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -165.04 104.23 0.77 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.162 -0.681 . . . . 73.41 109.162 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -27.14 63.44 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.093 -0.503 . . . . 63.41 112.113 -173.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 p -90.73 3.33 54.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 62.44 111.938 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -105.55 110.77 23.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.114 0.483 . . . . 70.42 110.544 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.6 mt -93.79 135.47 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.872 -0.604 . . . . 74.14 110.024 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.7 m -77.75 -52.17 9.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.754 0.311 . . . . 73.04 110.515 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -57.66 -24.27 55.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.994 0.426 . . . . 75.25 110.775 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 36.5 tp -61.71 -60.25 3.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 71.52 110.975 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.48 -33.83 73.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.013 0.435 . . . . 70.51 110.645 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -66.29 -40.86 90.31 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.858 -0.61 . . . . 75.5 110.376 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -66.61 -44.96 80.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.66 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 80' ' ' LEU . 47.3 mm -59.39 -40.67 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.635 . . . . 75.15 110.9 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.88 -28.22 67.36 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.046 -0.525 . . . . 75.41 111.294 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.74 -36.17 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 64.05 111.766 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -118.72 -38.67 3.07 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.596 0.591 . . . . 72.04 112.596 -170.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.631 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.9 t -116.23 34.07 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.859 0.318 . . . . 74.54 111.859 -168.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -67.0 -28.86 68.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.812 0.339 . . . . 64.11 110.671 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.55 -1.48 34.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.474 -0.33 . . . . 65.1 111.331 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.79 108.24 0.17 Allowed Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.089 -0.577 . . . . 44.31 112.418 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.631 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 26.7 p -129.6 -78.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.767 -0.255 . . . . 53.52 110.702 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . 176.01 141.2 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.648 0.379 . . . . 71.11 110.503 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -169.85 158.65 7.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.721 -0.474 . . . . 73.35 109.721 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -138.85 146.86 41.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.529 0.204 . . . . 75.23 111.034 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 50' ' ' VAL . 47.3 t -120.44 121.04 64.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.355 -0.384 . . . . 63.43 110.828 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 HG13 ' A' ' 13' ' ' ILE . 10.4 mp -109.38 130.54 55.49 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.805 0.442 . . . . 75.5 110.756 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -107.88 128.79 54.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 73.34 109.92 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 47' ' ' ASP . 46.4 ttp180 -77.45 128.84 34.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.977 -0.379 . . . . 71.15 109.977 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 102' ' ' LYS . 20.0 mm -83.31 158.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 71.54 110.387 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -79.6 -1.14 36.66 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.234 -0.439 . . . . 71.33 111.519 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HG2' ' CG2' ' A' ' 100' ' ' ILE . 13.8 ptmm? -108.23 161.14 15.27 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.877 -0.416 . . . . 71.54 109.877 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 2.3 tm? -136.58 96.05 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.473 -0.936 . . . . 73.22 108.473 176.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.52 117.39 10.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 72.5 109.571 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -62.11 156.78 20.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 75.45 111.805 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -51.96 125.83 16.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.647 -0.706 . . . . 74.25 111.479 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.0 71.55 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.739 -0.664 . . . . 74.2 109.985 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -67.65 122.96 19.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 55.4 110.782 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -153.21 123.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.706 -0.679 . . . . 71.31 109.88 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.599 -0.715 . . . . 72.42 109.257 174.428 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.087 -0.338 . . . . 75.14 110.087 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' HB ' ' NZ ' ' A' ' 102' ' ' LYS . 42.5 mm -128.13 98.61 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.798 -0.445 . . . . 62.11 109.798 176.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.53 -66.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.329 -0.708 . . . . 44.14 111.329 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -85.78 -12.45 50.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.777 0.322 . . . . 74.12 110.778 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -96.17 -176.25 3.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.084 -0.507 . . . . 61.21 110.116 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -155.5 139.49 16.37 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.007 -0.368 . . . . 73.12 110.007 -175.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -83.07 -20.3 35.19 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.744 0.307 . . . . 71.11 110.305 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 64.96 28.69 12.55 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.706 -0.679 . . . . 74.12 111.296 170.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.12 114.11 4.6 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.053 -0.594 . . . . 55.03 111.824 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.75 -50.28 74.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.804 0.335 . . . . 62.43 110.444 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 22' ' ' LEU . 60.1 mt -127.59 101.15 6.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 72.12 110.121 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.15 140.19 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.432 -0.804 . . . . 73.21 110.306 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.57 HG13 HD21 ' A' ' 97' ' ' LEU . 31.2 mm -122.18 110.67 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.366 -0.605 . . . . 64.44 109.366 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.47 115.61 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.754 0.311 . . . . 74.41 110.321 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.629 HG12 ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -150.53 135.65 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.346 -0.388 . . . . 70.24 110.936 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.629 ' HG2' HG12 ' A' ' 15' ' ' ILE . 85.1 mm-40 56.88 35.63 26.6 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.094 0.473 . . . . 73.34 110.835 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 59.66 17.01 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.589 -0.732 . . . . 64.53 111.559 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.05 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.902 -0.777 . . . . 63.02 108.902 173.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 103' ' ' LEU . 38.9 tt0 -104.78 132.98 50.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.051 -0.352 . . . . 72.13 110.051 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 97.6 m-85 -133.72 164.58 26.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.182 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HG2' HD11 ' A' ' 100' ' ' ILE . 6.8 pt-20 -133.46 148.2 51.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.152 -0.684 . . . . 72.02 109.152 169.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 11' ' ' ILE . 47.3 tp -77.28 100.34 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 62.32 109.737 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.71 -21.59 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.52 -0.309 . . . . 75.3 111.244 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 21.8 t-80 -150.94 133.53 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.952 -0.388 . . . . 74.22 109.952 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.2 t30 -141.76 126.52 18.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.225 -0.657 . . . . 74.44 109.225 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 41.9 t80 -118.62 128.15 54.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 73.43 110.299 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 26' ' ' PHE . 8.7 mmpt? 60.58 21.48 11.3 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.746 0.654 . . . . 61.14 110.36 178.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.4 m-20 54.06 32.55 15.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.4 -0.818 . . . . 74.33 111.175 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.09 -7.71 63.33 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 116.005 -0.543 . . . . 54.2 112.924 -177.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -69.54 92.39 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.268 0.556 . . . . 73.4 111.096 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -94.92 106.89 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.928 -0.767 . . . . 65.11 108.928 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.8 -46.85 74.56 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.431 -0.35 . . . . 70.52 111.523 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.01 -42.13 97.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.804 -0.18 . . . . 70.05 110.687 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.49 94.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.936 0.398 . . . . 63.03 110.268 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -56.7 -58.8 6.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.695 -0.684 . . . . 75.33 110.643 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 15' ' ' ILE . 13.4 ptmm? -68.91 -20.91 64.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.728 -0.669 . . . . 72.22 111.625 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.33 -16.55 45.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.44 -0.345 . . . . 71.43 111.218 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -111.68 -14.75 13.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.75 0.309 . . . . 73.54 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -65.56 158.71 26.35 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.043 -0.526 . . . . 61.25 110.901 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.6 t -154.66 167.51 29.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.2 -0.455 . . . . 70.44 109.85 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.2 -52.05 66.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.071 0.548 . . . . 53.35 112.476 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.7 tp -53.72 -29.5 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 112.344 0.498 . . . . 61.43 112.344 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.46 -25.42 68.0 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.687 0.28 . . . . 75.11 111.406 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.18 -25.83 68.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.429 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -70.32 -16.78 63.04 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.299 -0.41 . . . . 74.14 111.759 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 71.7 m-85 -84.25 -31.14 25.15 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.61 0.226 . . . . 73.33 111.61 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 99' ' ' ARG . 2.4 m-20 66.18 0.96 1.81 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.993 0.517 . . . . 74.43 111.974 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.89 118.46 10.97 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.156 0.582 . . . . 62.11 109.672 177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.6 mm -118.81 118.18 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 55.02 110.083 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 96' ' ' VAL . 57.3 t -114.75 114.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 75.41 109.659 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.39 120.23 6.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.67 -0.776 . . . . 60.34 111.638 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.75 131.8 52.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.291 -0.263 . . . . 72.01 110.291 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.06 -37.89 37.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.602 -0.888 . . . . 73.12 108.602 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.04 -87.01 0.01 OUTLIER Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.341 -0.845 . . . . 43.43 112.859 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -104.07 -26.76 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.821 0.344 . . . . 74.45 110.337 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.49 -28.0 0.49 Allowed Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.839 -0.619 . . . . 51.24 111.592 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.83 101.82 11.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 74.12 110.483 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.87 117.14 8.56 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.844 -0.617 . . . . 73.11 110.093 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -129.7 145.06 51.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.545 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.11 118.97 37.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.227 -0.442 . . . . 45.44 110.633 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -106.41 135.45 47.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.55 -0.75 . . . . 70.53 109.42 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.64 146.12 17.97 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.792 -0.718 . . . . 62.44 112.191 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.501 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 71.8 m-85 -141.57 163.69 32.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.521 -0.548 . . . . 63.31 109.521 175.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -104.62 163.89 12.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.986 -0.376 . . . . 70.04 109.986 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.84 119.72 12.99 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.291 -0.633 . . . . 73.35 109.291 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.518 ' HB2' HG23 ' A' ' 77' ' ' ILE . 35.2 t70 -93.24 -3.77 53.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.742 -0.663 . . . . 72.34 110.901 -174.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -119.62 -63.27 1.4 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.215 -0.448 . . . . 63.22 111.035 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 61.5 28.16 17.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.638 0.375 . . . . 71.55 110.964 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -104.55 170.1 8.09 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.036 0.446 . . . . 73.13 111.115 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.1 16.93 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 62.14 109.817 172.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.29 -178.66 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.427 -0.806 . . . . 74.32 111.108 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.6 t -66.31 -19.41 65.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.953 0.406 . . . . 75.11 110.283 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -118.99 117.16 28.04 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.434 -0.58 . . . . 73.13 109.434 172.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -134.48 14.35 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.355 0.598 . . . . 55.3 109.842 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.7 p -137.13 14.59 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.35 -0.841 . . . . 72.4 110.235 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.5 102.68 10.77 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.13 -0.486 . . . . 73.11 111.096 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 66' ' ' ASP . 69.7 mt -82.51 133.87 28.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.145 -0.48 . . . . 72.41 109.932 177.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -74.84 -55.92 5.31 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.565 -0.289 . . . . 72.41 111.148 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.4 t -60.2 -21.43 61.75 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.851 0.358 . . . . 73.41 111.219 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' H ' HG22 ' A' ' 77' ' ' ILE . 60.5 tp -61.62 -37.89 85.63 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.126 -0.488 . . . . 72.45 110.702 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.92 -47.41 85.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.388 0.613 . . . . 71.33 110.267 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -71.1 -31.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.078 -0.965 . . . . 71.34 110.838 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.11 -52.87 52.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 72.45 110.615 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.83 -38.32 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.368 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.605 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 50.8 t80 -50.49 -46.29 56.88 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.779 -0.646 . . . . 74.03 111.244 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.72 -28.79 69.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.38 -0.373 . . . . 63.32 111.727 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -118.0 -94.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.251 0.463 . . . . 71.43 112.251 -172.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.0 t -95.29 49.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 72.12 111.187 -168.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 85' ' ' TYR . 10.0 p30 -69.24 -35.19 75.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.597 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -170.1 144.56 2.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.298 -0.41 . . . . 71.21 109.984 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 -5.42 44.68 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.44 -0.409 . . . . 75.05 112.337 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 p -148.79 -163.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.13 -0.693 . . . . 70.54 109.13 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB1' ' HA3' ' A' ' 29' ' ' GLY . . . -133.08 154.55 50.46 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.78 0.324 . . . . 74.25 111.327 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -155.03 164.2 39.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.751 -0.659 . . . . 73.42 109.436 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.86 155.05 43.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.612 0.244 . . . . 74.54 111.071 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 36.1 t -132.07 125.56 54.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 116.02 -0.536 . . . . 54.32 109.961 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD21 HG13 ' A' ' 13' ' ' ILE . 11.2 mp -119.1 144.46 46.6 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.068 -0.515 . . . . 74.32 109.899 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -115.7 142.82 46.24 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.974 -0.38 . . . . 73.43 109.974 174.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.568 ' HB2' ' HA ' ' A' ' 47' ' ' ASP . 1.4 tmt_? -79.31 108.2 12.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 70.33 110.292 -176.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 21' ' ' GLU . 39.8 mm -75.75 135.38 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.731 -0.47 . . . . 75.34 109.731 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.66 77.37 8.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.452 0.538 . . . . 60.15 112.452 -169.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' NZ ' ' HB ' ' A' ' 2' ' ' ILE . 78.0 tttt -174.81 -65.58 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.835 -0.62 . . . . 70.03 111.243 168.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 19' ' ' GLU . 3.3 tm? 81.61 105.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.148 0.905 . . . . 71.52 109.552 -171.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' HD3' ' A' ' 102' ' ' LYS . 75.9 mm-40 -68.98 81.72 0.31 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.141 -0.481 . . . . 62.45 110.704 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.68 70.96 6.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.243 0.545 . . . . 55.55 109.823 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -84.8 175.28 9.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.764 -0.653 . . . . 71.23 110.424 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.25 34.57 0.31 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.309 -0.405 . . . . 71.04 111.599 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 32.9 m170 60.38 92.32 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.453 0.538 . . . . 70.42 112.453 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -106.44 138.09 43.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.148 -0.686 . . . . 73.43 109.148 170.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.439 -0.791 . . . . 72.31 110.203 -177.256 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.44 0.162 . . . . 70.25 111.436 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 pt -76.92 140.78 16.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.98 0.419 . . . . 75.33 111.133 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.55 87.14 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.946 -0.57 . . . . 63.55 112.531 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.4 mtt -75.01 173.14 11.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.828 0.347 . . . . 73.35 110.658 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -149.69 139.92 22.21 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.131 -0.486 . . . . 75.43 109.923 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -148.93 132.45 16.72 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.646 -0.252 . . . . 70.24 110.369 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -124.1 157.57 34.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.794 -0.447 . . . . 65.4 109.794 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -146.95 -64.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 74.44 110.324 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.57 -81.65 0.08 OUTLIER Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.951 -0.568 . . . . 72.31 111.758 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' HG2' HG13 ' A' ' 11' ' ' ILE . 37.0 tt0 -167.49 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.132 -0.692 . . . . 60.02 109.132 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 22' ' ' LEU . 62.4 mt -125.34 112.39 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 73.44 109.29 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.36 131.13 54.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 64.54 110.266 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 97' ' ' LEU . 25.2 mm -117.57 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 52.03 110.247 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.78 115.1 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 62.33 110.108 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 16' ' ' GLN . 9.3 tt -150.47 139.67 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.41 -0.359 . . . . 61.14 110.781 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.8 mm100 55.27 40.01 31.47 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.402 0.439 . . . . 74.22 111.609 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 64.11 15.62 9.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.904 -0.589 . . . . 74.31 110.88 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.16 126.8 55.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 61.14 109.71 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.657 ' H ' ' NH1' ' A' ' 99' ' ' ARG . 43.1 tt0 -104.12 128.13 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.065 -0.516 . . . . 74.43 110.038 -176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' LYS . 96.7 m-85 -131.85 161.9 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 74.52 110.714 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -129.86 135.32 48.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.28 -0.637 . . . . 75.21 109.28 170.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 11' ' ' ILE . 64.1 tp -73.86 100.49 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.703 -0.48 . . . . 63.12 109.703 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.91 -26.42 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.044 -0.525 . . . . 64.01 111.97 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -146.84 135.11 21.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 75.22 110.999 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -130.73 141.54 50.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.985 -0.746 . . . . 61.42 108.985 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -132.85 115.61 15.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.865 -0.42 . . . . 73.11 109.865 -176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 59.87 28.28 17.75 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.486 0.491 . . . . 74.12 111.083 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.0 t70 58.34 31.91 21.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.751 -0.659 . . . . 64.21 110.76 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.1 -4.76 30.25 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.795 -0.639 . . . . 74.25 113.061 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -72.84 113.1 9.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 75.44 110.944 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -135.91 102.17 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.605 -0.887 . . . . 53.42 108.605 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.05 -41.88 88.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.956 -0.565 . . . . 71.33 112.064 -168.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -55.15 -41.77 72.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.962 0.411 . . . . 71.02 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.58 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.548 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.35 -59.54 4.56 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.949 -0.569 . . . . 75.11 110.643 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -61.1 -30.31 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 74.1 111.249 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.7 76.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.255 -0.429 . . . . 74.42 110.995 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.653 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 mmp_? -103.05 5.79 38.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.348 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 60' ' ' LEU . 72.9 t80 -78.99 151.75 31.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.265 0.555 . . . . 72.41 111.17 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -142.13 147.23 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.424 -0.807 . . . . 55.24 109.398 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.99 -27.58 68.4 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.07 0.462 . . . . 75.05 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.67 -25.44 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.984 -0.553 . . . . 65.52 111.071 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' A' ' 49' ' ' ILE . 90.7 mt -71.24 -22.88 61.93 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.744 -174.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.24 -21.95 50.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.025 0.44 . . . . 72.11 111.015 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -63.71 -31.91 73.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.481 -0.781 . . . . 75.12 112.365 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.9 m-85 -86.42 -23.49 26.05 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.82 0.674 . . . . 62.22 112.82 -167.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 70.73 -0.69 2.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.269 0.627 . . . . 64.11 112.05 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -148.31 119.56 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.749 0.309 . . . . 73.54 110.385 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 43' ' ' LEU . 23.9 mm -115.95 116.21 51.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.028 -0.533 . . . . 70.01 110.037 -178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 96' ' ' VAL . 60.3 t -113.92 113.66 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.539 -0.301 . . . . 51.13 110.209 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.552 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -99.91 121.66 7.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.88 -0.676 . . . . 51.43 111.798 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.25 155.71 21.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.011 0.434 . . . . 75.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.51 38.75 2.37 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.597 -0.728 . . . . 71.22 110.276 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.63 -62.73 5.91 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.978 -0.556 . . . . 72.15 112.806 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -80.63 -39.24 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 75.02 110.268 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.94 -49.61 0.72 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.328 -1.109 . . . . 64.12 110.328 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.99 116.63 5.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.939 -0.763 . . . . 71.32 108.939 170.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.2 109.58 0.69 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 53.21 109.311 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 92.8 mtt180 -101.09 130.15 47.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.26 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 39' ' ' TYR . 88.7 mt -97.56 109.72 22.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 72.21 110.14 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.2 tmtt? -97.43 127.94 43.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.734 -0.839 . . . . 65.31 108.734 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.563 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -91.14 123.37 7.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.207 -0.52 . . . . 52.23 112.141 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 88.2 m-85 -116.13 156.13 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.638 0.256 . . . . 72.34 110.452 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -102.82 159.29 15.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.122 -0.695 . . . . 75.45 109.122 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.831 ' HB2' HD21 ' A' ' 68' ' ' ASN . 1.1 p-10 -68.92 130.99 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.766 0.317 . . . . 74.43 110.809 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -104.36 -62.26 1.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.772 -0.455 . . . . 72.34 109.772 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -122.77 102.15 7.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.214 0.531 . . . . 75.11 111.622 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.831 HD21 ' HB2' ' A' ' 65' ' ' ASP . 36.9 m-80 -118.4 24.94 10.63 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 107.706 -1.22 . . . . 72.34 107.706 166.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -72.66 146.92 46.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 114.195 -1.366 . . . . 44.43 111.635 -174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.41 151.07 13.77 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.25 -0.886 . . . . 65.21 110.602 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 61.45 17.09 8.1 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.181 -0.463 . . . . 65.55 111.526 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -140.42 161.98 36.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.474 -0.565 . . . . 71.45 109.474 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 51.1 m-85 -56.0 115.94 2.7 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 110.168 -0.308 . . . . 73.35 110.168 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -80.19 10.8 4.02 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.239 0.542 . . . . 74.54 110.81 179.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p -135.78 26.34 3.35 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.754 -0.657 . . . . 71.24 110.517 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 57.9 tptt -102.13 109.63 21.38 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.891 -0.595 . . . . 72.22 111.132 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.07 116.94 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.575 -0.898 . . . . 63.43 108.575 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 t -65.75 -52.83 47.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.386 -0.37 . . . . 72.32 110.967 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -63.92 -24.31 67.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.827 0.346 . . . . 71.02 110.845 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.8 tp -63.73 -47.47 80.93 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.292 -0.413 . . . . 63.41 110.777 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.7 -41.69 70.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.296 0.57 . . . . 72.04 109.964 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.11 -49.03 66.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.3 -0.864 . . . . 70.42 109.914 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -51.74 -42.18 62.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.96 -1.018 . . . . 73.33 111.389 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -63.06 -45.95 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 71.34 110.888 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -64.26 -25.44 68.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.892 0.377 . . . . 74.33 110.931 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.33 -62.2 1.52 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 75.54 110.465 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -80.83 -53.73 6.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.631 -0.713 . . . . 72.33 111.693 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.86 78.05 1.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 54.14 111.01 -173.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -97.02 -42.91 7.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.642 -0.708 . . . . 60.42 110.162 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -89.48 -173.81 4.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.47 -0.786 . . . . 72.03 109.512 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.12 82.38 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.443 -0.408 . . . . 70.42 113.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.1 -172.88 2.79 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.904 0.482 . . . . 72.45 109.943 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.92 44.05 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.683 0.278 . . . . 75.32 111.744 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -165.38 177.67 7.36 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.599 -0.728 . . . . 64.42 109.699 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -155.1 155.86 34.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.45 -0.341 . . . . 71.15 110.359 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 50' ' ' VAL . 40.3 t -128.08 125.86 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 O-C-N 123.256 0.348 . . . . 70.12 111.074 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 13' ' ' ILE . 11.1 mp -109.48 145.87 35.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.334 -0.394 . . . . 72.22 110.668 176.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 84.0 tttt -116.59 129.14 56.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.794 -0.639 . . . . 52.12 110.415 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.657 ' NH1' ' H ' ' A' ' 19' ' ' GLU . 12.7 tpt85 -76.68 111.46 12.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.071 0.463 . . . . 53.51 111.66 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.411 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 26.1 mm -90.37 112.88 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.653 -0.869 . . . . 64.03 108.653 172.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -78.62 61.34 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.054 0.454 . . . . 73.12 112.018 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -131.24 -69.57 0.62 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.943 -0.572 . . . . 73.04 109.765 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.1 tm? 63.97 100.48 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.599 0.562 . . . . 71.0 110.434 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.54 137.87 50.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.189 0.519 . . . . 72.23 109.751 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -96.25 30.89 2.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.635 . . . . 74.22 111.051 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -55.68 87.74 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.684 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.11 14.95 2.96 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.762 -0.654 . . . . 71.51 111.83 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -84.58 80.71 9.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.85 -0.426 . . . . 62.02 109.85 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -154.05 163.74 39.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 73.44 110.353 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.649 -0.705 . . . . 71.45 109.114 178.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 2' ' ' ILE . 23.8 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.298 0.094 . . . . 74.04 111.114 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 1' ' ' MET . 39.7 pt -93.1 -10.6 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.954 0.407 . . . . 72.12 110.977 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.79 -171.09 21.41 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.353 -0.699 . . . . 45.43 111.353 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.5 mtp -124.04 17.06 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.985 -0.376 . . . . 63.05 109.985 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t 65.97 18.24 11.01 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.533 -0.758 . . . . 74.51 111.345 176.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.23 90.91 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.106 0.479 . . . . 42.1 110.68 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 104' ' ' GLU . 40.5 tptt -108.32 62.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.472 -0.936 . . . . 62.42 108.472 175.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -83.93 103.65 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.207 -0.906 . . . . 72.21 110.685 -171.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.29 -129.48 1.13 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.639 -0.985 . . . . 74.25 110.639 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -162.75 -63.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.049 0.425 . . . . 61.35 110.175 175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -118.67 93.55 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 72.02 110.554 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -106.64 124.75 50.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 74.43 110.165 178.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm -105.03 100.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.478 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 104' ' ' GLU . 6.9 mp -90.66 110.85 22.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.83 -0.433 . . . . 62.54 109.83 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -133.11 114.02 20.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.962 0.411 . . . . 72.31 111.318 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 53.73 57.03 6.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.586 -0.734 . . . . 72.44 111.294 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 m120 66.71 2.45 2.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.541 -0.754 . . . . 61.03 112.325 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.51 108.44 19.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 73.41 109.9 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.8 119.4 31.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.92 0.39 . . . . 72.52 110.379 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.78 172.06 7.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.08 -0.711 . . . . 73.14 109.08 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.8 pt-20 -140.62 150.62 43.81 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.818 -0.438 . . . . 73.14 109.818 168.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 25' ' ' ASN . 52.8 tp -77.49 100.2 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.927 -0.579 . . . . 64.23 109.621 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' THR . 32.7 m -90.49 -17.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 73.12 111.038 -177.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 32.2 t60 -156.7 133.44 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 63.13 110.471 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.47 HD21 ' HA ' ' A' ' 28' ' ' ASP . 53.3 t30 -140.69 135.51 31.7 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.34 -0.615 . . . . 74.05 109.34 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -124.15 116.3 22.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.445 -0.205 . . . . 72.12 110.445 -173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 57.97 25.92 12.8 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.153 0.502 . . . . 62.21 110.286 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 25' ' ' ASN . 3.4 m-20 51.57 44.81 28.87 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.083 -0.962 . . . . 74.53 111.108 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.91 -12.41 62.36 Favored Glycine 0 CA--C 1.517 0.189 0 CA-C-N 115.667 -0.697 . . . . 72.23 111.817 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HA ' ' CD1' ' A' ' 95' ' ' PHE . 79.7 t80 -62.38 99.75 0.15 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.89 0.376 . . . . 75.14 111.166 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -110.24 101.6 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.58 -0.896 . . . . 73.12 108.58 170.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.31 -45.25 94.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.661 -0.245 . . . . 70.13 110.706 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.09 -36.53 68.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.198 -0.456 . . . . 73.45 111.044 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -77.0 -42.1 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.341 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.22 -57.14 13.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.938 -0.574 . . . . 62.51 110.961 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -65.34 -17.73 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.686 . . . . 71.54 110.984 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.05 -26.3 31.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.866 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 19.8 mmt180 -101.24 -8.1 22.47 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.694 0.257 . . . . 71.44 111.694 -176.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -61.04 140.97 57.72 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.663 -0.244 . . . . 75.15 110.85 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.406 ' H ' HD12 ' A' ' 43' ' ' LEU . 22.9 t -141.46 163.67 32.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.017 -0.538 . . . . 54.14 109.854 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.89 -49.24 76.15 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.311 -0.404 . . . . 52.11 111.3 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 5.7 tp -51.43 -34.22 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.031 -0.532 . . . . 72.11 112.089 -176.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 49' ' ' ILE . 81.0 mt -64.98 -27.58 68.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 75.11 111.752 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.18 -32.12 73.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.507 0.558 . . . . 65.2 112.507 -172.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.0 ptpp? -78.91 -12.12 60.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.995 0.368 . . . . 71.15 111.995 -175.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.478 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 81.7 m-85 -80.85 -40.82 24.2 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.902 0.382 . . . . 72.51 110.454 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 70.3 m-20 71.36 2.96 4.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.242 -0.89 . . . . 71.13 111.751 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 65' ' ' ASP . 46.9 m-85 -132.44 114.8 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.204 -0.665 . . . . 72.5 109.204 173.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.4 mm -116.2 114.0 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.694 -0.484 . . . . 63.35 109.694 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 96' ' ' VAL . 62.0 t -111.95 108.42 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.289 -0.414 . . . . 74.33 109.9 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -93.99 120.23 6.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.559 -0.829 . . . . 63.33 111.427 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.4 146.52 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 72.12 110.373 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.402 ' CZ2' HD12 ' A' ' 58' ' ' LEU . 69.7 m95 -97.44 35.74 1.59 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 61.41 109.959 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 55' ' ' TYR . . . -63.1 133.29 42.98 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.729 -0.669 . . . . 60.55 111.991 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 74.3 t80 74.54 -59.72 0.54 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.953 0.501 . . . . 73.23 110.458 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.86 -33.18 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.215 -0.517 . . . . 63.41 112.298 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.82 137.78 32.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.744 0.306 . . . . 52.33 110.681 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.402 HD12 ' CZ2' ' A' ' 53' ' ' TRP . 6.2 tt -75.45 108.55 8.33 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.312 -0.625 . . . . 65.32 109.312 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.532 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 41.1 ttm180 -99.98 129.2 46.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 74.21 110.615 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.9 mt -94.96 103.33 15.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.76 -0.459 . . . . 54.24 109.76 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.35 122.7 40.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.752 -0.658 . . . . 74.35 109.966 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.09 140.93 15.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.192 -0.528 . . . . 73.1 111.817 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -131.04 163.47 27.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 73.12 111.231 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -104.5 138.24 41.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.67 -0.863 . . . . 72.52 108.67 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 44.1 t0 -68.78 144.5 54.32 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.209 0.318 . . . . 74.35 111.003 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -148.42 179.13 8.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 110.145 -0.317 . . . . 72.2 110.145 -179.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 21.7 mt-30 74.21 -3.24 2.59 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.611 0.764 . . . . 72.03 111.492 -173.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.17 92.6 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.708 0.29 . . . . 61.4 111.212 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -126.52 -71.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.419 -0.585 . . . . 75.54 109.419 172.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -129.0 27.01 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.056 -0.72 . . . . 73.32 109.056 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.65 136.03 56.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.006 -0.997 . . . . 50.01 112.136 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 t -95.87 21.34 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.54 0.686 . . . . 75.11 109.379 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 76' ' ' LYS . 32.7 p90 -146.45 158.97 43.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.96 -1.018 . . . . 34.31 109.624 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HB2' ' HZ3' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -138.12 16.15 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 72.34 110.297 177.197 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 23' ' ' VAL . 23.2 p -118.86 19.52 13.06 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.758 -0.655 . . . . 72.33 111.011 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 56.9 tptt -136.05 117.85 15.11 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.349 -0.387 . . . . 75.21 110.499 -176.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 64.2 mt -124.64 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 53.11 109.194 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 t -67.97 -49.55 61.02 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.568 0.223 . . . . 75.13 110.859 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.2 t -60.93 -27.87 68.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.202 0.525 . . . . 64.12 110.241 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 50' ' ' VAL . 40.3 tp -77.61 -41.13 39.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.954 -0.566 . . . . 54.14 110.309 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.27 -38.7 71.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.644 -0.707 . . . . 63.15 110.285 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.04 -40.38 60.43 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.785 -0.643 . . . . 64.54 110.538 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.39 -41.89 85.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.755 -0.657 . . . . 71.14 111.352 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.57 -38.03 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 74.35 110.706 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -61.99 -26.45 68.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.767 -0.651 . . . . 75.33 110.759 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.85 -43.02 89.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 74.33 111.65 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -100.06 -47.39 5.01 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.989 0.423 . . . . 72.11 111.885 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 33.9 t -76.65 85.5 3.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.303 0.573 . . . . 61.11 111.818 -168.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -92.43 -57.47 2.68 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.881 -0.785 . . . . 64.01 108.881 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -164.1 143.98 8.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.344 -0.844 . . . . 73.35 109.345 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.94 79.89 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.495 -0.642 . . . . 64.43 111.495 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -84.79 161.55 19.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 72.31 111.204 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.59 142.73 15.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.633 -0.712 . . . . 64.12 109.554 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -165.38 175.46 9.1 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.678 0.275 . . . . 71.05 110.584 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 36.7 p90 -151.93 144.91 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 74.43 110.54 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.483 HG13 HG22 ' A' ' 50' ' ' VAL . 42.7 t -121.19 117.4 52.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-N 116.589 -0.278 . . . . 65.11 110.768 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -105.1 128.38 53.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.237 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HZ3' ' HB2' ' A' ' 74' ' ' GLU . 72.4 tttt -108.59 138.18 45.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 73.23 110.403 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.6 135.26 51.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 64.43 110.854 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 21' ' ' GLU . 31.7 mm -105.29 140.82 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.895 -0.78 . . . . 64.41 108.895 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 102' ' ' LYS . 93.1 mtt180 -81.25 72.05 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 73.13 112.117 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER 173.31 179.76 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.939 -1.028 . . . . 74.21 108.664 168.552 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -144.34 116.75 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.173 -1.047 . . . . 74.15 108.173 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 14' ' ' LEU . 43.3 tt0 -60.4 85.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.216 0.532 . . . . 72.44 110.67 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -69.45 88.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.401 -0.818 . . . . 62.44 109.878 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -58.27 -44.34 88.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 71.41 110.628 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -142.18 95.01 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 74.24 110.121 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -73.55 100.31 3.26 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.92 -0.77 . . . . 75.41 108.92 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -52.94 99.2 0.02 OUTLIER 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.41 -0.814 . . . . 71.1 110.964 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.466 -0.778 . . . . 74.21 109.976 -179.479 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 121.102 0.477 . . . . 35.52 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -140.92 150.19 20.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.066 -0.515 . . . . 64.54 109.95 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.21 -152.12 27.76 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 111.885 -0.486 . . . . 63.34 111.885 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.38 142.33 23.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.688 0.28 . . . . 72.45 110.481 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -88.19 -58.75 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.148 0.499 . . . . 72.3 110.601 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 5.0 pt-20 -150.89 -50.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 65.42 110.935 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 4.0 ttpm? 63.08 22.13 13.26 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.742 -0.663 . . . . 71.23 110.649 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.489 ' HG3' ' HB2' ' A' ' 6' ' ' GLU . 78.8 mtm180 -71.43 -58.96 3.04 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.38 -147.44 47.27 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.66 -0.7 . . . . 64.43 111.564 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' ILE . 39.2 tt0 -140.44 -53.29 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.103 0.451 . . . . 70.34 110.47 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.475 HG13 ' HG2' ' A' ' 10' ' ' GLU . 64.4 mt -131.08 101.25 5.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.07 0.462 . . . . 53.52 110.192 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -105.61 115.62 30.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.434 -0.803 . . . . 73.41 110.166 -178.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 HG13 HD21 ' A' ' 97' ' ' LEU . 36.4 mm -104.35 107.56 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 63.13 110.755 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.36 116.78 29.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' A' ' 16' ' ' GLN . 10.5 tt -150.41 144.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 74.43 111.23 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.597 ' HG2' HG12 ' A' ' 15' ' ' ILE . 30.3 mm-40 51.16 36.93 16.94 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.119 0.568 . . . . 72.34 111.925 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 62.0 38.61 14.05 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.811 -0.631 . . . . 73.05 111.059 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.01 137.44 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.774 -0.648 . . . . 73.43 109.36 173.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.03 127.63 50.21 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.879 0.371 . . . . 60.31 110.247 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -119.63 162.68 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 72.23 109.646 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -135.84 146.1 47.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.911 -0.403 . . . . 74.44 109.911 168.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 11' ' ' ILE . 61.6 tp -74.17 111.49 9.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.869 -0.419 . . . . 72.54 109.869 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.56 -9.29 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 61.44 111.726 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -168.47 137.52 2.31 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.289 -0.164 . . . . 74.03 111.155 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.474 HD22 ' HB3' ' A' ' 95' ' ' PHE . 24.0 t-20 -144.16 153.08 41.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 62.51 110.456 176.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 17.6 t80 -136.12 133.51 37.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.22 109.905 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 10.8 mmpt? 58.41 26.28 13.93 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.753 0.658 . . . . 75.31 111.585 175.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 61.4 27.8 17.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.09 -0.505 . . . . 54.11 110.983 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.61 3.95 5.76 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 116.168 -0.469 . . . . 73.52 113.921 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -83.26 112.13 19.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.459 0.63 . . . . 71.32 110.431 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.479 ' ND2' ' HG2' ' A' ' 33' ' ' GLU . 3.7 t-20 -130.38 98.66 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.822 -0.807 . . . . 73.34 108.822 177.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 23.1 tt0 -54.9 -45.24 74.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.336 -0.393 . . . . 51.02 111.373 -172.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' ND2' ' A' ' 31' ' ' ASN . 13.0 pt-20 -55.2 -37.07 66.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.503 -0.317 . . . . 63.44 110.901 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -74.93 -45.69 40.83 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.266 -0.425 . . . . 71.21 110.18 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.62 -55.77 22.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 72.11 110.702 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.1 ptmt -68.62 -18.98 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 65.53 111.271 -175.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.07 -35.68 49.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 75.34 110.887 177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 32.5 mmt180 -95.7 -19.48 19.66 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.143 -0.481 . . . . 74.03 111.113 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -67.13 147.41 53.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.449 -0.341 . . . . 73.53 110.905 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB3' HG22 ' A' ' 42' ' ' ILE . 46.4 t -148.1 168.51 22.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.049 -0.523 . . . . 71.32 110.185 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.6 -24.93 66.4 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 72.4 110.504 -177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 40' ' ' SER . 9.4 tp -61.35 -25.7 37.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 115.811 -0.631 . . . . 72.41 110.952 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 92.0 mt -93.36 -12.17 30.56 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.92 -0.582 . . . . 63.23 111.545 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -64.52 -21.74 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.399 -0.364 . . . . 74.13 111.75 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -80.16 -12.88 59.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.294 0.479 . . . . 70.15 112.294 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 71.0 m-85 -78.93 -34.57 44.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.934 0.346 . . . . 72.32 111.934 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 3.9 m-20 67.78 0.63 2.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.889 0.476 . . . . 73.14 111.365 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 40.3 m-85 -144.62 115.96 8.02 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.903 0.481 . . . . 74.22 109.777 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 42.9 mm -119.62 119.11 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.942 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.12 123.79 68.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 61.15 110.347 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -119.13 128.83 7.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.218 -0.515 . . . . 71.05 111.851 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . 10.0 t70 -126.54 146.14 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 71.34 109.713 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -85.27 -36.21 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 70.32 110.902 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.35 -82.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.579 0 C-N-CA 121.206 -0.521 . . . . 51.42 111.904 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -127.54 26.04 5.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.19 0.519 . . . . 74.24 109.927 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.78 2.04 46.15 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.796 -0.638 . . . . 75.21 111.966 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -92.04 76.14 5.46 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.624 -0.51 . . . . 75.13 109.624 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.54 97.44 0.59 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.305 0.574 . . . . 75.23 110.061 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -116.7 147.46 41.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 73.51 109.799 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.8 135.15 43.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.006 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -122.33 123.96 42.61 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.002 -0.74 . . . . 62.12 109.002 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.86 140.58 17.19 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.135 -0.555 . . . . 73.2 112.429 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.2 m-85 -139.53 163.31 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.675 -0.491 . . . . 71.52 109.675 176.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.95 159.61 18.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.464 -0.939 . . . . 75.43 108.464 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 5.2 p-10 -63.83 108.29 1.42 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.408 0.623 . . . . 72.33 110.237 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 5.3 t70 -69.49 -56.61 6.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.837 . . . . 73.12 111.383 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -73.51 71.53 1.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.643 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -82.52 69.61 9.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.622 -0.881 . . . . 64.42 108.622 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -167.8 171.3 10.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.116 -0.947 . . . . 74.24 109.734 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -75.47 92.34 2.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.465 0.65 . . . . 71.54 111.635 -172.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.16 144.91 51.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.054 -0.976 . . . . 75.13 109.171 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.0 m -62.69 -13.3 30.68 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.269 0.557 . . . . 44.03 111.235 -178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' HD2' ' HB2' ' A' ' 76' ' ' LYS . 2.0 p90 -142.68 87.03 1.97 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.4 0.619 . . . . 70.32 110.561 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.71 -37.29 85.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.191 -0.913 . . . . 73.33 111.044 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.402 HG22 ' HE1' ' A' ' 48' ' ' TYR . 14.5 p -64.58 -2.77 2.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.462 0.912 . . . . 70.41 113.462 -170.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 73' ' ' PHE . 26.0 tptp -78.94 70.14 5.22 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.532 0.682 . . . . 72.35 109.635 177.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.516 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 66.6 mt -71.69 113.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 65.31 110.888 -176.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -53.85 -56.65 15.7 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.47 -0.332 . . . . 74.44 111.854 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -56.6 -25.95 54.23 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.864 0.364 . . . . 71.22 111.127 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 26.0 tp -77.14 -42.18 38.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.204 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.24 -42.05 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.204 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 43.9 mt-10 -61.89 -42.04 98.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.417 -0.81 . . . . 53.01 110.214 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -49.48 77.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.879 -0.6 . . . . 61.44 110.079 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -58.33 -38.11 67.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.709 . . . . 72.23 110.556 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -63.13 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 74.15 111.072 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mt-10 -73.76 -59.77 2.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.98 0.419 . . . . 75.02 111.207 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.22 -49.7 7.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 65.43 111.841 -170.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 48.9 t -80.06 74.21 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.307 0.575 . . . . 75.31 110.327 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -83.13 -53.75 5.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 74.44 110.163 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -164.25 148.16 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.671 -0.695 . . . . 63.32 109.299 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.19 71.45 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.942 -0.647 . . . . 32.45 112.401 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -92.09 163.93 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.548 0.339 . . . . 75.32 110.12 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -154.92 99.14 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.021 -0.363 . . . . 63.14 110.021 -176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 51.6 p90 -118.81 163.13 17.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.068 0.461 . . . . 70.12 111.196 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' ASN . 51.5 p90 -142.01 146.15 35.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.623 -0.717 . . . . 71.22 109.859 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.12 117.9 55.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.648 0.261 . . . . 74.45 110.456 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.501 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -103.84 132.27 50.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 72.25 110.282 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -107.43 128.74 54.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.428 -0.582 . . . . 73.13 109.428 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -78.64 126.74 31.16 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.338 -0.616 . . . . 71.34 109.338 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.06 -57.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.097 -0.501 . . . . 40.02 110.84 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG2' ' HG3' ' A' ' 102' ' ' LYS . 36.2 ttp-105 176.49 -53.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 73.03 109.62 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.447 ' HG3' ' HG2' ' A' ' 101' ' ' ARG . 68.1 mttm -142.25 -167.46 2.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.342 -0.845 . . . . 73.42 109.536 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -128.1 116.38 19.89 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.511 -0.922 . . . . 64.42 108.511 174.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -67.38 86.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.562 0.696 . . . . 52.23 110.348 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -88.94 50.88 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.23 -0.896 . . . . 70.24 109.031 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.74 -76.24 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.136 -0.938 . . . . 74.44 110.818 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -157.28 103.81 2.01 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.679 -0.489 . . . . 75.03 109.679 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -92.23 85.48 5.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 62.25 110.138 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 t60 74.34 -35.04 0.29 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.025 0.93 . . . . 74.22 111.629 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.719 -0.657 . . . . 72.51 109.965 178.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.168 -0.308 . . . . 71.22 110.168 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 2' ' ' ILE . 2.9 mp -93.62 86.4 2.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 109.545 -0.539 . . . . 70.15 109.545 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.51 -28.71 12.17 Favored Glycine 0 C--N 1.33 0.244 0 CA-C-N 115.986 -0.552 . . . . 32.33 111.86 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 ttt -132.56 120.91 22.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.728 -0.471 . . . . 71.12 109.728 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -78.46 -173.03 3.15 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.131 0.491 . . . . 64.24 110.627 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -84.47 131.9 34.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 75.13 110.625 -174.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -94.73 21.39 7.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 63.54 110.073 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 65.1 23.57 12.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.315 -0.857 . . . . 74.4 110.548 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.52 150.02 6.72 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 114.948 -1.024 . . . . 74.31 110.549 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.39 -63.95 1.0 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.272 0.536 . . . . 74.53 110.016 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -136.54 87.65 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.749 -0.659 . . . . 71.14 109.47 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.42 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -84.4 122.44 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.346 -0.843 . . . . 71.55 110.167 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.543 HG13 HD21 ' A' ' 97' ' ' LEU . 36.1 mm -106.96 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.093 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 14' ' ' LEU . 7.1 mp -91.67 112.52 24.48 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.009 -0.367 . . . . 61.22 110.009 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.8 tt -143.97 139.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 72.12 110.063 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.549 ' HG2' HG12 ' A' ' 15' ' ' ILE . 29.1 mm-40 57.14 29.09 16.02 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.396 -0.365 . . . . 74.12 111.063 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 62.29 32.62 16.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.442 0.639 . . . . 74.43 110.918 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -130.67 126.63 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.284 -0.871 . . . . 61.5 108.854 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HB2' HD13 ' A' ' 103' ' ' LEU . 34.3 tt0 -90.83 130.48 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 64.43 110.092 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -121.72 171.64 8.71 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.534 ' HG2' HD11 ' A' ' 100' ' ' ILE . 8.1 pt-20 -145.25 147.81 32.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.881 0.372 . . . . 71.44 110.161 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.02 108.2 5.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 51.44 109.39 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 75' ' ' THR . 35.0 m -101.09 -25.48 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.107 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 20.0 t60 -147.84 132.86 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.617 -0.512 . . . . 64.03 109.617 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 28' ' ' ASP . 45.0 t30 -142.09 143.61 33.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.667 -0.494 . . . . 74.31 109.667 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 43.0 t80 -131.95 118.43 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.899 0.38 . . . . 74.0 110.596 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 18.2 ttmm 64.69 23.69 12.81 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.154 -0.93 . . . . 73.33 110.652 172.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.461 ' HA ' HD21 ' A' ' 25' ' ' ASN . 35.1 m-20 61.73 29.39 18.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.237 -0.892 . . . . 71.53 110.657 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.65 -11.86 60.77 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.796 -0.638 . . . . 41.55 112.328 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.3 120.85 13.52 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.037 0.446 . . . . 71.24 111.154 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.688 HD21 ' HZ2' ' A' ' 53' ' ' TRP . 3.3 p30 -147.91 103.38 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 75.43 110.349 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 35' ' ' PHE . 35.0 tt0 -55.13 -37.61 67.14 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.911 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.01 -46.24 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.897 -0.592 . . . . 73.14 111.633 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.61 -37.95 41.06 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 63.34 110.418 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . 57.8 t80 -52.88 -61.41 2.31 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.151 -0.931 . . . . 73.21 111.194 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.8 -30.92 71.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.882 -0.599 . . . . 51.15 111.026 -175.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.6 68.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.289 -0.414 . . . . 55.33 111.337 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 mmp_? -115.29 6.79 15.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.599 -0.273 . . . . 72.52 111.265 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -68.66 133.58 48.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.914 0.387 . . . . 74.2 110.936 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 43' ' ' LEU . 24.9 t -123.01 149.75 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 75.24 109.882 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.98 -34.29 77.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.01 -0.541 . . . . 54.11 111.459 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 tp -56.32 -34.63 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.166 0.507 . . . . 74.44 110.677 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB3' HD12 ' A' ' 49' ' ' ILE . 77.9 mt -69.05 -32.67 72.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.775 -0.648 . . . . 72.12 111.11 -176.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.02 -33.19 68.69 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.887 -0.597 . . . . 74.21 111.252 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 5.4 tmmm? -70.65 -22.65 62.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.654 -0.703 . . . . 72.43 111.62 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 90.2 m-85 -76.1 -22.16 55.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.581 0.229 . . . . 72.44 111.478 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 46.8 m-20 71.01 1.23 3.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.121 0.568 . . . . 74.45 111.631 -177.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -139.4 118.29 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 71.5 110.222 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.9 mm -110.82 113.88 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.386 -0.598 . . . . 74.42 109.386 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.08 113.93 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.878 -0.416 . . . . 71.32 109.878 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.71 120.95 6.99 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.973 -0.851 . . . . 73.13 110.973 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.98 154.6 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 73.3 110.227 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.688 ' HZ2' HD21 ' A' ' 31' ' ' ASN . 80.4 m95 -105.02 4.09 31.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.606 . . . . 72.23 110.169 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.99 -21.5 65.48 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.456 -0.402 . . . . 53.4 112.386 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.03 -13.02 43.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.665 0.386 . . . . 64.33 110.612 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.08 -46.42 1.17 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.635 -0.986 . . . . 51.1 110.635 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -115.99 171.49 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.894 -0.78 . . . . 61.03 108.894 172.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.66 101.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.245 -0.65 . . . . 65.22 109.245 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -111.4 137.99 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.864 -0.607 . . . . 72.51 110.812 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.56 133.1 49.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.117 -0.697 . . . . 52.21 109.117 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 4.4 tmtm? -127.42 132.62 50.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.698 -0.852 . . . . 71.23 108.698 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -98.38 131.75 10.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.289 -0.481 . . . . 74.51 112.157 -178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.4 m-85 -123.5 166.55 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.394 -0.595 . . . . 74.42 109.394 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.8 154.02 19.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.843 -0.428 . . . . 73.33 109.843 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.76 108.63 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.611 0.57 . . . . 54.24 109.603 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 16.5 t70 -92.08 -77.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.562 -0.745 . . . . 74.04 110.725 -170.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -89.38 81.17 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 72.34 109.839 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -82.2 -13.64 56.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.402 -0.817 . . . . 71.43 109.597 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.25 87.5 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.047 -0.978 . . . . 74.33 110.356 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HG2' ' HB3' ' A' ' 74' ' ' GLU . 6.6 tmtm? -68.78 88.9 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.959 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.88 -86.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 63.21 109.527 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -107.15 -1.52 21.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.463 0.649 . . . . 73.14 109.455 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 53.6 p90 -149.94 174.52 12.6 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.074 -0.967 . . . . 54.44 108.94 178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.605 ' HB3' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -148.91 -37.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 72.43 110.807 179.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.417 HG21 HG11 ' A' ' 23' ' ' VAL . 25.6 p -94.76 72.64 3.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.377 0.608 . . . . 64.3 111.077 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -140.44 138.14 34.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.593 -0.731 . . . . 72.32 109.525 176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 63.2 mt -125.73 116.32 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.624 -0.51 . . . . 50.55 109.624 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.1 t -57.23 -52.57 64.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 73.53 111.097 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -62.14 -22.96 66.28 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 62.42 110.926 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 84' ' ' ILE . 55.3 tp -74.74 -41.05 60.84 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.542 -0.299 . . . . 61.41 110.214 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.05 -36.64 65.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.506 0.67 . . . . 71.01 109.642 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.32 -40.46 44.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.205 -0.907 . . . . 63.44 110.293 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.01 -42.68 69.35 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.388 -0.823 . . . . 64.44 110.946 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 80' ' ' LEU . 48.5 mm -58.11 -42.75 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.929 -0.578 . . . . 65.14 110.807 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -62.51 -41.36 98.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.897 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.17 -42.59 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 54.11 111.165 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -97.18 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 65.54 112.292 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 10.2 t -74.23 -17.35 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 73.11 110.9 -173.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 47.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.059 0.763 . . . . 65.44 113.059 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.8 -10.77 59.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.876 0.37 . . . . 64.34 111.432 -169.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.06 55.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.413 -0.675 . . . . 60.04 111.413 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.749 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 22.5 p -62.84 -79.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.852 0.461 . . . . 65.32 111.35 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 92' ' ' CYS . . . -179.48 142.23 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.888 -0.412 . . . . 53.13 109.888 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -167.3 168.22 13.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.374 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -147.58 148.65 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 71.23 110.252 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 48.6 t -125.88 123.44 64.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 120.83 0.348 . . . . 65.14 110.561 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.543 HD21 HG13 ' A' ' 13' ' ' ILE . 10.8 mp -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.94 -0.573 . . . . 45.14 110.119 176.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -107.73 139.32 42.47 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.914 -0.402 . . . . 73.53 109.914 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 100' ' ' ILE . 3.6 tmm_? -75.48 120.24 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.334 -0.617 . . . . 63.24 109.334 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.534 HD11 ' HG2' ' A' ' 21' ' ' GLU . 41.4 mm -71.28 150.02 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 72.22 110.901 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -41.47 -40.54 1.82 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 73.22 111.778 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -174.69 -178.35 1.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.925 -0.58 . . . . 72.54 109.488 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 19' ' ' GLU . 3.7 mm? -78.52 59.29 2.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.942 0.401 . . . . 74.43 110.644 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -173.18 150.59 1.95 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.135 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.06 167.42 16.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.455 -0.339 . . . . 73.1 110.668 -176.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.7 t60 66.03 67.55 0.47 Allowed 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.918 0.761 . . . . 72.25 109.425 -174.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -69.47 133.48 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.052 -0.976 . . . . 63.44 111.812 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -93.3 10.15 33.27 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 73.22 109.766 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -77.59 42.28 0.36 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.357 -0.838 . . . . 75.34 109.664 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 124.243 1.017 . . . . 53.45 112.617 -173.629 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.376 0.131 . . . . 74.05 111.266 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.34 146.46 11.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 110.229 -0.286 . . . . 72.4 110.229 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.52 76.42 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.56 -0.616 . . . . 44.33 111.56 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.475 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.6 mpp? -76.37 68.81 2.78 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.461 0.648 . . . . 71.31 109.911 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -154.09 161.6 41.79 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.804 -1.089 . . . . 64.34 108.717 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.58 -175.83 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.646 0.26 . . . . 71.2 110.847 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HG2' HG21 ' A' ' 100' ' ' ILE . 51.8 tptt -167.15 141.99 3.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.077 -0.511 . . . . 65.41 109.934 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -142.4 162.58 35.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 74.33 110.549 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.5 178.05 28.19 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.031 -0.827 . . . . 31.21 111.031 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.72 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 74.25 109.858 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 22' ' ' LEU . 64.9 mt -128.01 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.764 -0.653 . . . . 73.21 109.498 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -90.13 119.83 30.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.577 -0.738 . . . . 64.41 110.661 -177.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.5 mm -107.54 105.73 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 71.52 110.029 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.18 120.79 41.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.114 -0.328 . . . . 73.51 110.114 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.561 HG12 ' HG2' ' A' ' 16' ' ' GLN . 14.2 tt -147.43 142.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 74.42 110.107 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.3 mm100 56.51 24.39 8.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.645 0.378 . . . . 72.21 111.055 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' O ' HD21 ' A' ' 103' ' ' LEU . 20.3 m120 62.09 52.12 3.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.784 0.802 . . . . 75.31 109.957 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 44' ' ' ASN . . . -138.94 117.96 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -1.218 . . . . 44.1 108.513 171.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 67.1 tt0 -90.77 114.72 27.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.44 -0.345 . . . . 71.23 110.842 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.52 171.2 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 75.21 109.702 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -142.31 150.59 41.01 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.974 -0.38 . . . . 74.23 109.974 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 11' ' ' ILE . 59.0 tp -77.66 109.3 11.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.604 -0.517 . . . . 74.55 109.604 176.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -102.03 -20.13 5.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.659 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 41.4 t60 -150.75 132.67 15.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.689 0.28 . . . . 75.43 110.737 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -132.95 146.44 51.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.756 -0.831 . . . . 74.23 108.756 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.55 114.86 11.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.514 -0.55 . . . . 72.25 109.514 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 60.18 28.19 17.74 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.475 0.484 . . . . 42.44 110.992 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 58.69 34.63 23.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.973 -0.558 . . . . 72.14 110.796 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.76 -13.86 64.31 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.382 -0.826 . . . . 75.41 112.542 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.15 119.87 10.39 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.872 0.368 . . . . 71.05 110.541 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -138.2 107.79 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.989 -0.745 . . . . 71.04 108.989 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -69.19 -47.23 65.45 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.338 0.399 . . . . 74.14 111.651 -171.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.11 -44.64 96.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.617 0.246 . . . . 45.43 110.716 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.3 66.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 70.03 110.677 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.14 -60.65 3.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.79 -0.641 . . . . 74.34 110.401 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -69.18 -20.24 64.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 71.33 110.947 -175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.72 -29.14 62.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.4 . . . . 60.4 110.732 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -101.17 -9.99 20.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.263 -0.426 . . . . 73.14 111.395 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.494 ' HA ' HD23 ' A' ' 60' ' ' LEU . 68.6 t80 -66.44 124.8 23.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 73.42 111.066 -177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -119.68 152.6 36.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 72.42 109.119 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.853 0.316 . . . . 64.52 111.853 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 tp -57.76 -31.06 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.995 0.426 . . . . 52.35 111.145 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 46' ' ' TYR . 86.8 mt -76.58 -15.63 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.314 -176.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.544 HD21 ' HB2' ' A' ' 18' ' ' ALA . 28.5 t-20 -68.17 -22.84 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.85 -175.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 19.1 ptpt -87.02 -4.4 59.17 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.706 0.261 . . . . 74.24 111.706 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.627 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 79.6 m-85 -88.31 -39.1 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.688 0.28 . . . . 74.54 110.755 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 73.01 1.69 4.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.666 -0.697 . . . . 63.22 111.627 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -136.56 115.88 12.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 72.42 109.062 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 43' ' ' LEU . 15.5 mm -115.35 121.27 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 74.51 110.293 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.22 120.67 59.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.134 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.17 121.7 6.98 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.831 -0.699 . . . . 42.51 111.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -109.73 135.81 50.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.894 0.378 . . . . 71.44 110.592 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -89.68 34.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.971 0.415 . . . . 73.44 110.302 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.74 91.95 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 115.741 -0.663 . . . . 72.34 113.419 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -129.43 83.5 2.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.176 0.488 . . . . 63.21 110.761 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.92 -91.76 0.05 OUTLIER Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.714 -0.675 . . . . 73.13 113.079 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -78.42 140.41 38.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.298 -0.63 . . . . 74.53 109.298 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.44 133.52 55.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.509 0.671 . . . . 73.14 110.856 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -94.38 129.32 41.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.996 -1.002 . . . . 63.03 108.352 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 39' ' ' TYR . 11.6 tp -101.43 109.43 21.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.491 . . . . 73.02 110.191 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -105.73 158.73 16.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.341 -0.845 . . . . 52.22 109.715 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.84 146.37 16.92 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.665 -0.574 . . . . 62.15 111.665 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.73 167.07 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.787 -0.449 . . . . 74.52 109.787 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -105.51 170.06 8.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.335 . . . . 75.03 110.382 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.71 132.32 51.68 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.31 -0.405 . . . . 72.45 110.471 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 77' ' ' ILE . 35.3 t70 -147.01 176.95 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.378 -0.601 . . . . 64.22 109.378 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' HB3' ' HB2' ' A' ' 73' ' ' PHE . 18.4 mm-40 67.39 19.37 10.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.612 0.72 . . . . 71.42 109.466 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -78.98 -16.08 57.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.963 -174.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.0 -47.39 68.66 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.209 -0.663 . . . . 72.53 109.209 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.541 ' HD3' ' HE2' ' A' ' 73' ' ' PHE . 51.4 tttp -100.79 73.67 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.562 -0.903 . . . . 71.41 108.562 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 86.08 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.177 -0.92 . . . . 61.35 111.739 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.3 m -157.4 -33.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.281 -0.872 . . . . 63.02 109.385 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.593 ' HB3' ' HB2' ' A' ' 76' ' ' LYS . 99.1 m-85 -79.05 71.94 5.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.76 -0.655 . . . . 75.32 110.567 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 98' ' ' LYS . 9.8 tp10 -66.11 -22.87 66.41 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.928 -0.578 . . . . 71.42 111.643 -177.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -126.81 21.77 6.91 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.913 0.387 . . . . 72.31 111.906 -173.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 73' ' ' PHE . 35.3 mmtm -132.12 148.36 52.48 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.567 -0.288 . . . . 73.52 110.578 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 66' ' ' ASP . 74.6 mt -141.23 131.5 26.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.698 -0.482 . . . . 73.54 109.698 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 m -63.27 -57.28 10.96 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.562 -0.29 . . . . 70.14 111.158 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -58.08 -24.82 60.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.011 0.434 . . . . 52.42 110.986 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 84' ' ' ILE . 30.5 tp -70.88 -49.52 45.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.081 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.83 -39.12 65.28 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.012 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.61 -47.91 74.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.34 -0.846 . . . . 75.25 110.713 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -60.29 -36.25 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.692 -0.685 . . . . 74.14 110.949 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 80' ' ' LEU . 46.8 mm -63.73 -41.44 92.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.493 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.96 -27.23 63.24 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.365 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -77.1 -16.8 59.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.326 . . . . 71.35 111.347 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -132.76 -76.37 0.49 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.136 0.421 . . . . 72.33 112.136 -174.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.827 ' HA ' ' HB3' ' A' ' 92' ' ' CYS . 85.3 m -87.03 97.96 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 71.01 112.145 -171.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -122.56 -35.67 3.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.715 -0.675 . . . . 72.4 109.605 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -139.08 115.26 10.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.385 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.67 -42.86 2.29 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.534 -0.365 . . . . 70.43 113.031 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.827 ' HB3' ' HA ' ' A' ' 88' ' ' CYS . 51.5 t -56.1 129.77 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.153 0.581 . . . . 62.22 110.307 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 162.84 15.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 53.01 110.961 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -163.98 176.36 9.46 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.401 -0.363 . . . . 75.45 110.671 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.7 151.87 34.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.483 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 61.7 t -127.22 122.84 60.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 120.71 0.291 . . . . 74.4 111.126 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.66 135.49 48.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.956 -0.565 . . . . 75.45 110.432 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' HE2' ' HG3' ' A' ' 74' ' ' GLU . 55.9 tttp -109.49 141.45 41.92 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.273 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 37.8 tpt85 -75.93 128.37 34.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.844 0.354 . . . . 72.4 111.087 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 102' ' ' LYS . 45.8 mm -78.34 154.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.911 -0.586 . . . . 73.03 109.857 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.67 -7.2 53.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.95 0.405 . . . . 74.44 111.107 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.693 ' H ' HG22 ' A' ' 100' ' ' ILE . 1.7 mmpt? -106.02 -167.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.312 0.577 . . . . 74.14 111.308 -177.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD21 ' O ' ' A' ' 17' ' ' ASN . 2.4 tm? -158.3 -55.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.646 -1.242 . . . . 74.4 107.646 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.9 123.14 39.36 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.761 -1.199 . . . . 71.45 107.761 170.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -144.65 133.6 22.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.306 -0.406 . . . . 61.51 110.152 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -149.56 135.05 18.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.723 -0.671 . . . . 73.43 109.315 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -69.37 126.24 29.15 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.587 -0.523 . . . . 74.21 109.587 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -66.51 -30.62 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 65.21 111.303 -175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.62 167.18 9.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.921 -0.4 . . . . 44.35 109.921 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.208 -0.901 . . . . 71.11 109.75 174.011 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' C ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.284 -0.265 . . . . 61.53 110.284 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.8 pt -75.03 77.79 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.767 0.794 . . . . 64.4 110.989 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.8 -127.52 1.82 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.298 -0.865 . . . . 65.33 111.522 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.4 mtt 64.74 14.26 8.99 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.949 0.5 . . . . 73.44 111.492 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -77.28 74.37 3.85 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.413 0.625 . . . . 61.51 109.808 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.5 110.88 3.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.09 -0.959 . . . . 75.4 110.952 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -143.84 127.35 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.404 -0.816 . . . . 61.33 109.889 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 10' ' ' GLU . 7.3 tmm_? -93.0 -38.66 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.87 -0.419 . . . . 65.11 109.87 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.77 103.48 0.71 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.084 -0.806 . . . . 64.52 111.084 -177.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 13.4 tp10 -62.27 -63.51 1.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.887 0.375 . . . . 73.41 110.455 -175.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 22' ' ' LEU . 63.7 mt -135.44 86.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.196 -0.668 . . . . 63.25 109.196 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.12 132.13 36.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.353 -0.84 . . . . 74.42 110.729 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.427 HG13 HD21 ' A' ' 97' ' ' LEU . 29.8 mm -120.2 98.98 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 74.11 109.222 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -100.94 111.87 24.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.238 -0.437 . . . . 73.54 109.915 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.1 tt -141.21 130.04 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.331 -0.395 . . . . 63.13 110.876 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.603 ' HG2' HG12 ' A' ' 15' ' ' ILE . 84.3 mm-40 54.42 44.3 29.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.102 -0.499 . . . . 55.34 111.579 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 65.98 18.92 11.18 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.011 -0.54 . . . . 63.0 111.783 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.38 122.49 46.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.024 -0.362 . . . . 55.12 110.024 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.98 113.53 27.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 74.53 110.881 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -120.48 172.47 7.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.761 -0.654 . . . . 71.24 109.482 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 7.6 pt-20 -148.58 152.78 37.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.018 -0.364 . . . . 71.41 110.018 169.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 11' ' ' ILE . 60.7 tp -75.69 106.71 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.41 110.247 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.0 -17.69 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.4 -0.364 . . . . 72.32 111.395 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -158.85 133.74 8.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.601 -0.272 . . . . 72.24 110.838 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -131.98 151.22 51.86 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.366 -0.605 . . . . 60.3 109.366 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -137.86 121.7 17.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.207 -0.664 . . . . 75.2 109.207 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 27' ' ' LYS . 11.4 ttmm 61.02 24.12 14.24 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.842 0.714 . . . . 65.12 110.409 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 t70 58.04 34.97 24.8 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.012 -0.994 . . . . 65.03 110.438 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.82 -13.67 61.79 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.687 -0.688 . . . . 75.45 112.679 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -64.6 120.3 12.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 73.21 111.23 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -138.62 104.47 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.964 -0.754 . . . . 74.34 108.964 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.75 -48.21 59.19 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.303 0.377 . . . . 73.12 110.899 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -57.14 -40.91 78.12 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.886 -0.597 . . . . 74.2 111.122 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.64 68.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.412 -0.358 . . . . 64.31 110.459 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.86 -56.87 16.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 73.13 110.52 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.66 -19.41 64.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 72.11 111.159 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.24 52.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 72.42 110.604 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 11.8 mmp_? -94.24 -8.29 39.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.22 -0.445 . . . . 64.45 111.238 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -64.21 150.9 44.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.247 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -153.18 165.0 37.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.124 -0.489 . . . . 64.31 109.825 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.78 -35.11 79.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.445 -0.343 . . . . 61.32 111.571 -174.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 8.1 tp -54.19 -33.28 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.024 0.44 . . . . 74.43 111.088 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 94.8 mt -65.96 -20.38 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.128 -0.487 . . . . 75.25 111.701 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.56 -25.39 68.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.363 -0.381 . . . . 74.31 111.749 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -75.19 -12.89 60.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.668 0.271 . . . . 74.12 111.301 -176.4 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.405 ' HD2' ' HA ' ' A' ' 43' ' ' LEU . 94.9 m-85 -91.18 -47.3 7.6 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.431 -0.349 . . . . 73.33 110.345 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 71.09 1.47 3.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.396 -0.82 . . . . 72.51 111.316 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -134.43 114.51 12.97 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.827 -0.805 . . . . 73.32 108.827 173.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 29.2 mm -118.2 119.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.09 -0.337 . . . . 60.13 110.09 -176.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 45.9 t -117.19 107.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.271 -0.422 . . . . 61.23 110.286 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -89.7 121.62 6.19 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.232 -0.747 . . . . 74.52 111.232 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.72 159.07 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 71.3 111.052 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . 70.7 m95 -123.49 30.98 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.059 -0.973 . . . . 74.12 108.756 175.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.15 -54.24 2.05 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.545 -0.752 . . . . 21.12 114.642 -170.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -124.05 37.6 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.043 0.449 . . . . 63.43 110.728 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.72 21.59 63.51 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.976 -0.556 . . . . 55.44 111.931 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -120.95 114.52 21.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.831 -0.433 . . . . 55.21 109.831 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.435 HD23 ' NE1' ' A' ' 53' ' ' TRP . 3.2 tm? -83.24 106.01 14.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.383 -0.599 . . . . 64.43 109.383 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 17.1 mtp180 -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 63.41 110.16 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -97.91 114.78 26.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 74.32 110.465 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -103.21 129.26 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 72.54 109.445 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.18 145.01 17.39 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 121.071 -0.585 . . . . 75.34 112.629 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -139.8 169.74 17.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.886 0.374 . . . . 53.41 110.566 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.72 155.25 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.93 -0.766 . . . . 73.52 108.93 175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.83 108.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.162 0.506 . . . . 63.44 110.357 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.72 -68.58 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.182 -0.673 . . . . 73.42 109.182 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -77.2 90.77 3.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.557 -0.905 . . . . 71.32 108.557 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -58.94 167.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.199 -0.91 . . . . 75.12 111.996 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.54 -20.44 46.41 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.597 -0.729 . . . . 73.43 111.81 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -80.92 13.38 2.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.849 0.357 . . . . 74.13 110.862 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.83 173.08 7.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.025 176.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -61.9 -47.4 85.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 62.24 111.352 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -103.86 102.64 12.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.768 0.318 . . . . 75.21 110.652 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.05 24.22 2.17 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.113 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.1 p -139.85 -47.21 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.644 -0.707 . . . . 62.13 110.668 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.28 85.55 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.329 0.585 . . . . 71.33 110.777 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 71.6 mt -75.42 125.36 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.736 -0.665 . . . . 73.25 109.788 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -63.66 -40.61 97.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 53.14 110.183 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -37.34 67.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.674 -0.694 . . . . 65.14 110.487 176.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 84' ' ' ILE . 35.5 tp -67.44 -42.3 83.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.375 -0.83 . . . . 74.02 110.269 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.96 -27.4 69.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.631 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 44.1 mt-10 -68.97 -42.8 76.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.165 0.507 . . . . 71.23 109.694 174.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.62 -43.29 97.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.45 -0.795 . . . . 73.42 110.027 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 80' ' ' LEU . 43.7 mm -65.92 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.546 -0.752 . . . . 72.32 110.273 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' GLU . 12.2 t80 -55.63 -38.97 70.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.668 -0.696 . . . . 73.32 111.135 177.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -43.36 79.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.51 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.09 -56.62 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 70.41 111.829 -175.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 94.0 m -74.38 91.41 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 61.14 112.454 -171.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.09 -32.04 11.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.849 -0.797 . . . . 71.24 108.849 167.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -162.22 -66.69 0.05 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.439 -0.8 . . . . 71.13 110.363 176.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.4 103.14 3.01 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.344 -0.455 . . . . 61.02 112.389 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.66 179.74 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.963 -0.384 . . . . 64.14 109.963 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 53' ' ' TRP . . . -162.38 149.69 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.476 -0.564 . . . . 74.14 109.476 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.88 165.84 7.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.636 0.255 . . . . 75.44 110.712 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 46.8 p90 -143.6 140.87 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.326 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.46 119.38 61.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.624 0.249 . . . . 61.41 110.972 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.427 HD21 HG13 ' A' ' 13' ' ' ILE . 9.6 mp -104.94 131.48 52.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.063 174.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.86 139.5 49.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 72.1 110.695 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -65.39 140.55 58.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 72.21 110.168 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 101' ' ' ARG . 44.5 mm -97.82 -82.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.623 0.231 . . . . 41.32 111.623 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.497 ' HG2' HG22 ' A' ' 100' ' ' ILE . 5.3 ptp180 -153.96 -170.53 3.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.014 0.435 . . . . 71.33 111.099 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 28.6 mmmt -65.74 127.06 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.606 -0.725 . . . . 64.35 109.563 171.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.39 102.31 0.06 Allowed 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.471 0.482 . . . . 74.14 111.125 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.63 97.58 0.04 OUTLIER 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.962 -0.563 . . . . 73.43 110.079 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -58.25 112.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.614 -0.721 . . . . 75.55 109.259 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -57.41 128.54 37.56 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.39 0.431 . . . . 74.1 110.265 -176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -65.86 148.79 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.549 -0.75 . . . . 72.45 111.408 -170.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -153.47 136.52 15.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.626 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -79.91 70.86 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.578 -0.527 . . . . 65.41 109.578 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 m80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 115.958 -0.565 . . . . 74.13 110.558 -173.662 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.775 0.321 . . . . 73.55 110.646 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.3 pt -100.22 130.24 49.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.052 0.453 . . . . 73.2 110.846 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.3 51.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 110.549 -1.02 . . . . 73.3 110.549 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -125.69 105.43 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.864 -0.421 . . . . 52.45 109.864 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 m -89.47 -2.8 58.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 73.33 110.417 178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.78 89.26 0.26 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.627 -0.715 . . . . 53.54 110.581 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -95.52 150.75 19.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.628 -0.714 . . . . 73.24 109.588 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.666 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -131.81 130.02 41.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.523 -0.547 . . . . 61.21 109.523 177.315 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.74 74.79 0.16 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.808 -0.917 . . . . 65.4 110.808 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.56 -45.16 91.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.66 -0.496 . . . . 63.53 109.66 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 22' ' ' LEU . 58.5 mt -136.7 81.75 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.602 -0.726 . . . . 54.14 109.173 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -83.39 123.43 29.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 64.14 110.078 -179.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 HG13 HD21 ' A' ' 97' ' ' LEU . 36.8 mm -105.8 98.83 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.081 0.467 . . . . 65.53 110.475 -177.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.52 111.63 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 71.44 109.322 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.0 tt -137.77 132.41 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.356 -0.384 . . . . 73.21 110.483 -176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.583 ' HG2' HG12 ' A' ' 15' ' ' ILE . 15.2 mm100 56.43 33.92 23.33 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.298 -0.41 . . . . 72.12 111.143 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 66.19 27.56 10.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.957 -0.565 . . . . 75.44 110.64 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.53 141.6 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.639 . . . . 62.22 109.295 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -110.45 114.65 28.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.689 0.281 . . . . 74.11 110.822 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.39 171.12 12.84 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.131 0.572 . . . . 50.14 110.05 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG2' HD11 ' A' ' 100' ' ' ILE . 7.3 pt-20 -146.5 156.67 43.44 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.547 -0.538 . . . . 61.44 109.547 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 11' ' ' ILE . 58.3 tp -85.15 105.94 16.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.188 -0.301 . . . . 71.45 110.188 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.92 -22.76 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 74.1 111.416 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 17.3 t60 -154.73 138.98 16.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.409 -0.36 . . . . 71.31 110.901 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -139.7 153.97 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.403 -0.591 . . . . 73.43 109.403 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -148.62 131.82 16.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.12 110.821 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 62.11 25.59 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.437 -0.801 . . . . 64.51 111.338 171.188 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 64.3 21.96 12.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.254 -0.43 . . . . 71.23 111.085 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.0 72.0 Favored Glycine 0 C--O 1.238 0.403 0 CA-C-N 116.035 -0.53 . . . . 74.35 112.579 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HZ ' HD11 ' A' ' 13' ' ' ILE . 71.0 t80 -64.34 99.05 0.27 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.279 0.561 . . . . 72.12 111.203 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -123.6 109.21 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.69 . . . . 73.42 109.227 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -51.22 -42.09 60.73 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.857 0.361 . . . . 75.33 110.464 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.8 -39.15 65.25 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.524 -0.762 . . . . 71.32 111.396 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.32 -38.24 42.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 52.33 110.254 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -60.36 -56.73 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.584 -0.735 . . . . 74.51 110.764 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -66.19 -21.55 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 53.1 111.491 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.8 -18.78 42.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.799 0.333 . . . . 74.42 111.194 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -115.12 -14.38 11.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.341 -0.391 . . . . 73.11 111.375 -177.382 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.92 138.14 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.366 0.603 . . . . 71.23 111.772 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.7 m -144.65 148.32 34.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.177 -0.92 . . . . 75.42 109.153 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.65 -31.36 64.31 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.793 0.33 . . . . 74.33 111.718 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.54 -25.28 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.062 -0.517 . . . . 75.01 111.559 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.1 mt -79.05 -27.57 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.43 -0.35 . . . . 71.42 111.61 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.06 -33.11 71.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.347 -0.388 . . . . 74.44 111.822 -175.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -3.09 12.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.037 0.384 . . . . 72.01 112.037 -174.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -90.6 -19.97 23.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.426 0.155 . . . . 74.01 111.121 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 69.74 -0.55 2.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.206 0.602 . . . . 72.12 111.286 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 70.6 m-85 -147.83 125.75 12.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.068 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.1 mm -111.62 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 71.14 109.645 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 95' ' ' PHE . 61.6 t -118.51 112.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.33 . . . . 71.54 110.204 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 94' ' ' TYR . . . -115.2 121.92 5.45 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.664 -0.574 . . . . 31.43 111.664 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -118.74 142.91 47.25 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.888 -0.412 . . . . 64.54 109.888 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.452 ' HD1' ' O ' ' A' ' 93' ' ' ALA . 60.0 m95 -76.99 -34.22 57.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.017 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.49 -92.67 0.03 OUTLIER Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.945 -0.57 . . . . 74.14 112.139 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -93.92 -29.9 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 63.23 110.146 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.78 -36.35 0.5 Allowed Glycine 0 N--CA 1.454 -0.133 0 CA-C-N 115.919 -0.582 . . . . 71.54 112.018 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.49 90.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 72.51 110.352 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.76 113.63 2.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.333 -0.849 . . . . 74.52 110.677 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -122.3 143.33 49.68 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.089 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.1 mp -94.49 133.64 37.88 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.953 0.406 . . . . 75.24 110.486 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -131.0 138.76 49.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.052 -0.722 . . . . 75.12 109.052 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.75 147.24 18.52 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.95 -0.643 . . . . 61.52 112.285 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.0 m-85 -138.46 166.31 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.676 -0.49 . . . . 75.34 109.676 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.71 146.2 42.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.126 -0.488 . . . . 71.14 109.87 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HA ' HG12 ' A' ' 77' ' ' ILE . 4.7 p-10 -67.37 120.24 13.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.995 0.426 . . . . 73.33 111.216 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -84.8 -49.61 8.29 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.282 0.563 . . . . 64.51 109.648 175.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 76' ' ' LYS . 19.1 mm-40 -82.15 91.71 6.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.39 -0.823 . . . . 72.14 110.729 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 60.0 t30 -146.79 150.55 35.54 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.639 -0.874 . . . . 74.12 108.639 173.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ASN . 28.2 tt0 66.14 105.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.514 0.509 . . . . 72.23 109.854 -173.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 84.3 tttt 58.76 31.48 21.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.827 0.822 . . . . 60.33 109.317 -172.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 146.79 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 74.45 111.393 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 t -64.05 -30.07 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.681 -0.489 . . . . 72.42 109.681 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -171.47 142.05 1.6 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.376 -0.829 . . . . 71.23 108.863 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 75' ' ' THR . 42.3 tt0 -67.45 159.18 30.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.219 -0.289 . . . . 70.32 110.219 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 98' ' ' LYS . 73.4 p 57.01 21.49 6.34 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.668 0.787 . . . . 64.24 112.202 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 67' ' ' GLN . 56.1 tptt -96.5 117.55 31.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.005 0.431 . . . . 73.22 109.989 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 65' ' ' ASP . 59.7 mt -110.75 121.4 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.34 109.968 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -78.71 -42.57 27.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.498 -0.319 . . . . 65.35 111.108 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -66.68 -15.91 63.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.046 0.451 . . . . 71.54 110.518 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 HG11 ' A' ' 50' ' ' VAL . 37.4 tp -66.4 -41.8 88.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.732 -0.667 . . . . 65.34 110.335 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -57.48 -39.71 77.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.717 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 39.0 mt-10 -60.62 -50.13 74.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.711 -0.677 . . . . 75.55 110.001 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -58.68 -48.96 79.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.364 -0.835 . . . . 75.53 110.297 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 80' ' ' LEU . 51.4 mm -60.05 -41.13 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 72.05 110.539 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.28 -42.99 99.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.418 -0.355 . . . . 72.43 110.831 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 62.2 mm-40 -60.24 -32.49 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 72.31 110.683 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.96 -16.85 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 72.41 112.003 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 92' ' ' CYS . 25.9 t -154.3 119.56 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.089 0.774 . . . . 72.34 113.089 -171.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -105.79 -43.47 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.026 -1.101 . . . . 65.03 108.026 163.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -142.98 84.52 1.84 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.964 -1.017 . . . . 74.24 109.574 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.45 94.37 0.15 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.844 -0.693 . . . . 75.0 112.457 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 88' ' ' CYS . 5.7 p -175.87 168.53 3.02 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 122.602 0.361 . . . . 44.32 110.564 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' HD1' ' A' ' 53' ' ' TRP . . . -163.35 105.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.415 -0.587 . . . . 72.23 109.415 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 44.7 p90 -131.26 162.11 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 75.53 111.563 -173.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 43.8 p90 -133.78 147.51 51.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.259 -0.882 . . . . 71.21 109.792 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 24' ' ' HIS . 42.8 t -122.94 116.91 50.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 123.277 0.36 . . . . 73.53 110.44 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.475 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -106.92 148.98 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.938 -0.574 . . . . 74.21 109.943 174.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.603 ' HD2' HG22 ' A' ' 75' ' ' THR . 61.8 tttp -116.44 148.2 40.96 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.156 -0.313 . . . . 63.32 110.156 175.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -78.75 111.96 15.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.138 0.494 . . . . 73.13 110.036 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 21' ' ' GLU . 24.4 mm -73.86 172.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.827 -0.624 . . . . 74.24 110.189 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' H ' HG22 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -50.56 -75.51 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.637 0.375 . . . . 72.24 111.891 -178.304 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.32 156.34 1.21 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.972 0.415 . . . . 72.32 111.171 -178.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -61.14 116.5 4.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.302 -0.863 . . . . 71.51 111.198 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.77 113.5 13.31 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.408 -0.36 . . . . 70.53 110.091 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -77.34 97.85 5.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.614 -0.513 . . . . 62.12 109.614 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -68.26 87.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 73.31 109.645 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -60.43 -25.85 66.27 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.66 -0.7 . . . . 64.33 112.118 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -72.76 82.23 1.16 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.099 0.476 . . . . 75.45 110.304 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -162.93 115.69 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 64.42 109.709 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.569 -0.729 . . . . 73.2 110.024 178.218 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.689 0.28 . . . . 74.41 110.701 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.3 mp -97.15 94.17 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.357 -0.609 . . . . 74.4 109.357 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.89 -10.83 17.83 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.295 -0.478 . . . . 44.13 112.534 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 ttt -56.25 101.99 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.93 0.395 . . . . 74.11 111.272 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -102.1 107.58 18.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 73.1 109.406 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -116.68 -144.1 0.38 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.93 -0.577 . . . . 74.34 111.012 -171.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.647 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 79.73 -48.0 0.36 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.973 0.909 . . . . 52.23 111.663 175.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 8' ' ' ARG . 19.2 mtt180 -67.77 88.51 0.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.193 0.521 . . . . 73.03 110.445 176.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.53 116.78 0.53 Allowed Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.241 -0.891 . . . . 24.11 111.288 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -125.16 -62.82 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.999 -0.741 . . . . 65.32 108.999 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.16 89.81 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.495 -0.775 . . . . 64.54 109.316 174.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -93.22 134.38 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.21 -0.904 . . . . 65.04 110.378 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.559 HG13 HD21 ' A' ' 97' ' ' LEU . 35.6 mm -113.84 99.88 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.431 -0.35 . . . . 51.43 110.504 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 7.5 mp -94.61 114.16 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.142 -0.318 . . . . 75.23 110.142 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.579 HG12 ' HG2' ' A' ' 16' ' ' GLN . 12.2 tt -150.1 137.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.712 -177.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.579 ' HG2' HG12 ' A' ' 15' ' ' ILE . 32.9 mm-40 56.46 47.24 19.2 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.771 0.428 . . . . 74.23 111.52 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 m120 68.78 11.36 8.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.433 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HD3' ' A' ' 99' ' ' ARG . . . -118.43 148.97 42.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.743 0.306 . . . . 61.24 111.288 -176.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HB2' HD23 ' A' ' 103' ' ' LEU . 39.2 tt0 -117.6 113.37 21.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.993 -0.549 . . . . 74.34 110.044 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 95.8 m-85 -111.21 171.99 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.709 0.403 . . . . 64.03 110.471 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -141.93 148.54 38.84 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 25' ' ' ASN . 63.0 tp -79.24 103.3 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 75.32 110.039 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.96 -13.56 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.564 -0.289 . . . . 74.32 111.562 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -158.67 133.13 8.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 110.409 -0.219 . . . . 62.53 110.409 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.3 t30 -142.34 148.65 38.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.85 -0.796 . . . . 73.54 108.85 175.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 4.2 t80 -151.25 124.72 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.537 -0.542 . . . . 70.2 109.537 -176.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.7 mptp? 56.96 34.48 24.95 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.562 0.539 . . . . 73.3 110.94 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 54.52 31.67 15.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.593 -0.731 . . . . 73.43 111.18 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.97 -28.35 60.75 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 111.485 -0.646 . . . . 65.12 111.485 175.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -65.46 104.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.945 0.402 . . . . 71.51 110.303 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -127.53 99.0 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.75 -0.833 . . . . 71.2 108.75 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -50.94 -43.6 60.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.941 -0.572 . . . . 71.33 112.173 -171.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.05 -44.9 83.44 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.835 0.35 . . . . 71.03 110.563 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.86 76.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.303 -0.408 . . . . 74.52 110.27 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -58.85 -61.61 2.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.686 -0.688 . . . . 61.44 110.486 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -63.62 -29.11 70.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.856 -0.611 . . . . 74.3 111.103 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.61 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 60.1 111.351 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.78 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -108.17 -0.97 20.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.673 -0.24 . . . . 75.14 111.445 -178.29 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.68 137.33 44.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 110.203 -0.295 . . . . 72.23 110.203 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -141.99 160.11 40.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.342 -0.39 . . . . 52.0 110.296 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.45 -29.66 70.91 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.889 -0.596 . . . . 75.14 111.076 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.46 -28.57 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.063 0.458 . . . . 64.2 110.669 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 49' ' ' ILE . 70.5 mt -86.82 -21.08 26.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 72.43 110.795 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 46.1 t-20 -60.9 -27.55 68.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.637 -0.71 . . . . 74.11 110.833 -177.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -72.1 -16.37 62.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.445 . . . . 72.34 112.051 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 87.0 m-85 -86.85 -34.96 19.3 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.886 0.699 . . . . 74.13 112.886 -172.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.498 ' CG ' HH21 ' A' ' 99' ' ' ARG . 1.9 m-20 72.93 0.32 3.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.285 0.634 . . . . 73.34 111.823 -175.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 73.9 m-85 -137.44 122.26 18.8 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.338 -0.616 . . . . 74.25 109.338 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 43' ' ' LEU . 42.5 mm -120.68 119.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.669 0.271 . . . . 71.33 110.434 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 96' ' ' VAL . 61.9 t -113.8 137.15 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 65.41 109.505 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.14 123.85 4.56 Favored Glycine 0 N--CA 1.454 -0.155 0 N-CA-C 111.482 -0.647 . . . . 71.23 111.482 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.37 151.17 37.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.984 0.421 . . . . 64.32 110.46 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -108.47 32.09 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.592 -0.731 . . . . 64.03 109.649 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.08 -57.24 11.57 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.975 -0.557 . . . . 50.24 113.238 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -92.73 21.01 5.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.894 0.378 . . . . 73.32 110.663 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.03 15.59 74.35 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.0 -0.619 . . . . 54.23 111.822 -175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -125.62 114.48 18.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.106 -0.702 . . . . 73.13 109.106 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.55 109.22 5.35 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 110.027 -0.36 . . . . 71.45 110.027 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -119.06 138.1 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.971 -0.559 . . . . 74.44 109.932 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.47 112.18 24.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.011 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.4 tmtm? -104.02 128.05 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.552 -0.907 . . . . 72.13 108.552 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.86 147.17 18.48 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.739 -0.743 . . . . 73.45 112.443 -177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 48' ' ' TYR . 97.7 m-85 -134.64 163.73 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.829 -0.434 . . . . 74.03 109.829 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -104.16 159.05 16.01 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.328 -0.619 . . . . 74.54 109.328 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.79 123.95 17.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.742 -0.466 . . . . 73.32 109.742 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 30.4 t70 -107.44 -78.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.33 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -84.34 71.3 10.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.484 0.659 . . . . 75.22 109.257 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -82.92 -8.37 59.58 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.001 -0.999 . . . . 71.12 109.81 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -77.55 133.06 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.542 -0.754 . . . . 64.35 109.382 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -65.2 90.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 72.41 110.547 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.66 79.77 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.431 -0.952 . . . . 72.55 108.431 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 m 73.48 -48.74 0.68 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.336 -0.847 . . . . 71.45 110.627 -172.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -110.86 167.12 10.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.448 -0.342 . . . . 72.02 110.137 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -127.88 -4.49 5.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.509 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.585 HG22 ' HD2' ' A' ' 98' ' ' LYS . 35.7 p -128.1 25.75 5.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.054 -0.521 . . . . 74.23 110.651 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -77.84 130.83 37.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.365 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.554 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 67.1 mt -128.13 111.85 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.176 -0.676 . . . . 65.43 109.176 176.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -58.8 -41.55 87.01 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.73 0.3 . . . . 75.21 111.409 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -71.59 -12.17 61.22 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.769 -0.196 . . . . 74.5 111.238 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 56.4 tp -66.04 -49.63 67.03 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.258 -0.645 . . . . 72.12 109.258 174.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.51 -46.93 66.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.265 -0.88 . . . . 61.45 109.983 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.95 -43.37 81.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.218 -0.901 . . . . 71.34 111.073 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -70.65 -48.25 55.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.007 -0.542 . . . . 71.22 110.722 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.95 -36.73 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 73.41 110.556 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -57.58 -31.5 66.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.779 -0.646 . . . . 73.25 110.998 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.22 -31.73 73.04 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.212 -0.449 . . . . 62.32 111.134 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -107.56 -64.01 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.521 0.677 . . . . 74.52 111.199 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 1.9 t -108.12 114.82 29.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.277 -0.874 . . . . 71.32 111.109 -168.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -106.95 -35.81 6.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.077 0.465 . . . . 74.12 110.209 176.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -101.95 9.2 40.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.962 -0.563 . . . . 75.33 111.36 -172.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.33 123.82 0.92 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 121.044 -0.598 . . . . 42.1 112.628 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 24.2 p -158.93 -167.29 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.929 -0.397 . . . . 63.05 109.929 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' PHE . . . -70.74 114.61 8.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.221 0.452 . . . . 71.53 112.221 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -166.36 167.46 15.85 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.741 -0.663 . . . . 74.45 109.603 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -152.82 163.58 39.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.622 0.231 . . . . 72.41 111.622 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.517 HG13 HG22 ' A' ' 50' ' ' VAL . 41.7 t -137.41 131.69 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.919 -0.582 . . . . 72.52 110.151 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 13' ' ' ILE . 8.6 mp -121.29 142.86 49.55 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.688 0.395 . . . . 72.42 111.053 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.585 ' HD2' HG22 ' A' ' 75' ' ' THR . 54.6 tttp -118.73 140.62 49.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.464 -0.569 . . . . 74.15 109.464 173.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 33.2 ttp180 -86.06 122.36 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 75.41 110.674 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 28.4 mm -65.74 -25.1 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 51.12 111.293 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 62.7 ttt180 76.13 -33.54 0.22 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.157 0.583 . . . . 71.41 111.362 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -74.98 26.75 0.09 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.988 0.515 . . . . 61.33 112.101 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 19' ' ' GLU . 3.4 tm? -56.3 120.65 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.427 -0.583 . . . . 64.4 109.427 175.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -128.88 109.23 11.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.567 -0.531 . . . . 75.24 109.567 177.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -157.66 121.45 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.969 -0.752 . . . . 74.32 108.969 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -58.73 91.63 0.01 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.721 0.296 . . . . 54.12 110.592 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -67.35 147.2 53.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.477 -0.564 . . . . 71.34 109.477 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -52.29 131.42 32.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.013 0.435 . . . . 63.43 111.401 -175.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -68.86 147.73 51.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.492 -0.776 . . . . 75.42 111.277 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 117.957 -1.021 . . . . 73.32 109.462 176.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.596 0.236 . . . . 75.34 110.369 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -136.04 177.47 6.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.664 -0.495 . . . . 64.34 109.664 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.26 145.79 4.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.883 -0.675 . . . . 64.43 112.727 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.39 22.87 7.31 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.436 0.636 . . . . 71.35 110.089 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -114.61 36.87 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.575 -0.739 . . . . 72.52 109.381 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -38.79 88.09 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.122 -0.945 . . . . 61.12 111.081 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 54.33 84.64 0.06 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.555 -0.748 . . . . 74.44 111.26 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 5.3 tpm_? 59.08 -85.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.041 -0.982 . . . . 74.43 111.498 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.9 55.61 24.88 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 110.905 -0.878 . . . . 71.11 110.905 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.15 -64.4 0.85 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 72.23 110.008 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD12 HD23 ' A' ' 22' ' ' LEU . 53.8 mt -117.04 84.93 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.618 -0.882 . . . . 74.41 108.618 174.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.62 131.95 36.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.6 -1.182 . . . . 64.31 110.499 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 16.7 mm -117.16 100.37 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.447 -0.575 . . . . 73.24 109.447 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mp -96.34 111.58 23.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.085 -0.339 . . . . 74.33 110.085 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG12 ' HG2' ' A' ' 16' ' ' GLN . 13.7 tt -150.62 137.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 54.44 110.66 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' HG12 ' A' ' 15' ' ' ILE . 14.2 mm100 54.23 46.83 24.43 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.895 -0.593 . . . . 73.5 111.458 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 62.82 28.66 16.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.813 -0.63 . . . . 62.41 111.736 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 135.15 38.62 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.599 -0.273 . . . . 64.32 110.955 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -95.94 116.56 29.11 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.565 -0.532 . . . . 45.53 109.565 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.588 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 43.1 m-85 -107.38 160.4 15.66 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.397 -0.365 . . . . 71.12 110.29 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 100' ' ' ILE . 13.8 pt-20 -124.6 133.19 53.35 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.543 -0.54 . . . . 63.14 109.543 172.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 HD12 ' A' ' 11' ' ' ILE . 53.6 tp -77.31 103.47 7.26 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.089 -0.708 . . . . 65.44 109.089 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG11 HG21 ' A' ' 75' ' ' THR . 12.9 m -90.08 -25.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 74.23 111.51 -173.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -154.8 132.28 11.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.301 . . . . 72.33 110.336 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.471 ' HB2' HD21 ' A' ' 22' ' ' LEU . 39.9 t30 -127.85 108.91 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.221 -0.659 . . . . 61.24 109.221 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 56.5 t80 -95.3 113.39 25.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.07 -0.514 . . . . 73.12 110.411 -173.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 59.05 34.75 23.65 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.003 -0.544 . . . . 65.21 111.098 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HA ' HD21 ' A' ' 25' ' ' ASN . 0.6 OUTLIER 58.78 30.22 19.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.13 -0.486 . . . . 44.4 111.119 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -19.8 60.7 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.197 -0.525 . . . . 64.35 112.378 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.12 136.67 42.95 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.014 0.435 . . . . 72.32 111.117 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -151.58 121.78 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.377 -0.829 . . . . 64.24 108.809 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.45 -51.67 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 75.02 111.902 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 11.7 pt-20 -64.92 -32.42 74.12 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 121.179 -0.208 . . . . 75.34 111.361 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.32 67.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.849 0.357 . . . . 62.13 110.39 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.1 -58.23 9.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 55.15 110.817 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 33' ' ' GLU . 13.8 ptmm? -57.83 -31.06 66.25 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 62.1 111.608 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.09 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.393 -0.367 . . . . 50.42 111.341 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HB2' HD13 ' A' ' 60' ' ' LEU . 30.5 mmt180 -106.51 -3.49 20.81 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.901 0.334 . . . . 74.03 111.901 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -76.74 148.71 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.136 -0.32 . . . . 51.13 110.136 176.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.3 t -149.05 155.47 40.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.623 -0.51 . . . . 74.04 109.623 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.03 -23.86 67.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.427 -0.351 . . . . 75.2 111.52 -176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 tp -61.36 -28.42 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 121.134 0.493 . . . . 74.11 110.349 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HB3' HD12 ' A' ' 49' ' ' ILE . 87.6 mt -83.54 -18.64 37.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.927 -0.579 . . . . 75.24 111.566 -176.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.19 -34.61 78.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.418 -0.356 . . . . 53.31 111.57 -173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -63.79 -15.76 59.54 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.116 -0.493 . . . . 70.25 112.182 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 96.8 m-85 -81.7 -22.87 37.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.601 0.239 . . . . 74.14 111.204 -175.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 66.38 0.2 1.67 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.292 0.637 . . . . 74.21 112.007 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -145.39 117.07 8.13 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.935 0.398 . . . . 72.21 110.413 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 43' ' ' LEU . 37.7 mm -115.41 117.42 55.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.621 . . . . 73.04 110.14 -178.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.9 t -119.16 116.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.035 -0.357 . . . . 55.14 110.035 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -104.87 129.75 9.96 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.17 -0.772 . . . . 51.42 111.17 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -108.99 154.02 22.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.287 0.565 . . . . 72.02 111.461 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.4 ' CE2' HD23 ' A' ' 58' ' ' LEU . 89.8 m95 -117.84 31.46 6.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.989 -1.005 . . . . 75.03 109.158 169.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.513 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . -49.5 -41.11 32.79 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.738 -0.665 . . . . 70.04 114.177 -170.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.458 ' H ' ' HG2' ' A' ' 57' ' ' GLN . 66.7 t80 -123.47 19.94 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.476 0.655 . . . . 73.42 109.528 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.84 46.9 21.67 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.264 -1.134 . . . . 41.31 110.264 -169.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 9.2 pt20 -133.46 93.86 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.994 -0.603 . . . . 74.42 109.861 -173.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD23 ' CE2' ' A' ' 53' ' ' TRP . 2.1 tm? -70.08 91.77 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 71.4 110.022 -175.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 40.3 mtp180 -120.71 129.87 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 71.11 110.196 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 38' ' ' ARG . 9.4 mp -97.84 112.21 24.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.846 0.355 . . . . 65.31 110.126 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 62' ' ' GLY . 6.9 tmtt? -107.13 130.4 54.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.133 -0.691 . . . . 74.3 109.133 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.552 ' N ' ' HD3' ' A' ' 61' ' ' LYS . . . -93.63 139.75 14.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.242 -0.504 . . . . 72.3 112.086 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 96.9 m-85 -129.0 162.08 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.327 -0.249 . . . . 51.44 110.327 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -103.04 165.07 11.24 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.656 -0.498 . . . . 71.1 109.656 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HB2' ' HB3' ' A' ' 68' ' ' ASN . 6.6 p-10 -71.27 122.67 20.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 74.41 110.829 -176.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -96.74 -55.79 2.78 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.09 -0.707 . . . . 71.41 109.09 171.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -120.19 76.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.696 . . . . 73.15 109.761 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.637 ' HB3' ' HB2' ' A' ' 65' ' ' ASP . 4.0 p30 -87.44 -12.49 45.98 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.394 -0.367 . . . . 75.45 110.027 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 72' ' ' THR . 59.3 tt0 -49.27 114.63 1.06 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.62 -0.718 . . . . 71.42 110.113 -179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HB3' ' HZ2' ' A' ' 70' ' ' LYS . 1.8 mmmp? -56.6 -11.84 1.51 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.087 0.403 . . . . 55.22 112.087 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' H ' ' HG2' ' A' ' 69' ' ' GLN . . . -75.27 -10.82 59.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.673 0.249 . . . . 54.33 111.673 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 69' ' ' GLN . 6.3 t -93.47 -164.27 1.15 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.372 -0.603 . . . . 64.33 109.372 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 75' ' ' THR . 36.4 t80 -77.86 47.56 0.64 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.686 0.279 . . . . 63.25 110.92 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 63.34 -73.18 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.078 0.551 . . . . 75.34 110.97 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.61 HG21 HG11 ' A' ' 23' ' ' VAL . 41.9 p -103.93 112.99 26.21 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.099 -0.5 . . . . 75.2 110.952 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 76' ' ' LYS . 26.7 mmtm -147.02 119.81 8.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.28 0.562 . . . . 71.11 110.871 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 80' ' ' LEU . 58.7 mt -119.95 128.41 75.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.585 -0.734 . . . . 75.12 109.411 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -76.57 -49.65 15.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 75.31 110.439 -174.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -64.17 -24.93 67.86 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.042 -0.527 . . . . 65.41 110.752 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' H ' HG22 ' A' ' 77' ' ' ILE . 40.5 tp -60.38 -34.92 74.58 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.464 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.16 -45.84 91.69 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.237 0.542 . . . . 72.22 109.901 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 86' ' ' GLU . 6.0 mm-40 -65.55 -42.34 91.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.372 -0.831 . . . . 70.22 110.108 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -61.19 -55.76 28.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.17 -0.923 . . . . 75.2 111.11 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.78 -37.16 70.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.333 -0.394 . . . . 74.51 110.787 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -61.01 -22.59 64.69 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.96 -0.564 . . . . 75.35 111.42 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 17.7 mm-40 -81.11 -25.38 37.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.495 -0.321 . . . . 64.1 111.221 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.415 ' HB3' ' HA3' ' A' ' 54' ' ' GLY . 99.1 m-85 -107.86 -62.32 1.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.859 0.362 . . . . 75.15 111.616 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 61.3 m -89.9 100.61 13.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.156 -0.474 . . . . 60.53 112.033 -170.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -93.79 -43.77 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.41 -74.1 0.13 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.657 -0.701 . . . . 74.53 110.062 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 81.71 0.37 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.789 -0.525 . . . . 74.32 111.789 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.513 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 48.8 t -158.55 168.31 27.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.634 0.254 . . . . 74.1 110.758 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 26' ' ' PHE . . . -155.37 154.7 32.39 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.815 -0.439 . . . . 63.04 109.815 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -165.89 170.73 13.46 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 110.202 -0.295 . . . . 73.14 110.202 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -146.26 145.88 30.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 72.1 110.478 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 t -123.16 121.3 62.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.344 -0.389 . . . . 61.01 110.475 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.449 HD21 HG13 ' A' ' 13' ' ' ILE . 11.0 mp -111.7 139.74 46.9 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.71 0.404 . . . . 73.42 110.446 176.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -111.53 122.13 47.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 74.45 109.882 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 100' ' ' ILE . 2.7 tmm_? -81.5 129.39 34.64 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.232 -0.655 . . . . 74.42 109.232 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 102' ' ' LYS . 8.8 mm -105.58 161.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.145 0.497 . . . . 73.13 110.974 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.0 ptt180 -77.39 33.96 0.16 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.611 -0.722 . . . . 62.01 110.795 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 100' ' ' ILE . 42.2 mtmt -129.52 156.79 43.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.59 0.356 . . . . 54.31 110.633 -177.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.41 ' H ' ' HD2' ' A' ' 105' ' ' HIS . 2.7 tm? -143.1 108.03 4.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.155 -0.683 . . . . 62.42 109.155 168.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 61.36 34.94 18.14 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.259 -0.882 . . . . 61.52 111.115 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.422 ' HB2' ' HD2' ' A' ' 102' ' ' LYS . 25.0 m-70 -79.99 -31.39 39.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.176 -1.046 . . . . 72.33 108.176 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -81.78 78.34 8.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.921 -1.14 . . . . 70.01 107.921 167.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -44.8 134.68 5.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.417 -0.81 . . . . 71.04 111.574 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -58.48 135.05 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.539 -0.755 . . . . 62.14 110.943 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -77.38 -6.15 52.31 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.209 0.528 . . . . 74.32 110.237 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.248 0.994 0 N-CA-C 108.622 -0.881 . . . . 55.3 108.622 174.595 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.793 0.33 . . . . 72.51 110.652 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.36 -57.49 3.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.312 -0.403 . . . . 73.54 110.187 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.0 126.16 0.81 Allowed Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.357 -0.697 . . . . 61.13 111.357 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.7 tpp -127.15 110.07 12.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.795 0.298 . . . . 63.42 111.168 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m 53.99 27.42 7.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.942 -0.572 . . . . 75.54 112.017 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.14 9.16 9.13 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.463 -0.335 . . . . 73.43 110.934 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.52 169.65 17.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.58 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -134.13 179.18 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 61.24 110.422 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.5 -132.27 11.13 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.311 -0.715 . . . . 74.21 111.311 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 11' ' ' ILE . 43.0 tt0 -153.25 -72.56 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.937 -0.394 . . . . 71.0 109.937 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' ' 10' ' ' GLU . 58.5 mt -106.47 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.368 0.604 . . . . 73.12 109.753 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptp -92.58 137.83 32.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.405 -0.816 . . . . 64.43 110.321 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 20' ' ' PHE . 43.0 mm -120.76 102.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 72.51 109.682 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.78 123.76 50.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.15 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.566 HG12 ' HG2' ' A' ' 16' ' ' GLN . 6.3 tt -149.37 136.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.765 -0.652 . . . . 63.4 109.653 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG2' HG12 ' A' ' 15' ' ' ILE . 16.8 mm100 61.5 22.47 12.91 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.073 0.233 . . . . 74.05 110.942 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.38 32.14 9.9 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.129 -0.487 . . . . 64.5 110.553 -173.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.57 150.46 27.46 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.474 -0.565 . . . . 61.22 109.474 173.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 30.4 tt0 -111.53 114.13 27.0 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.165 0.291 . . . . 64.11 111.211 -171.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 93.9 m-85 -131.15 166.33 21.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.3 0.24 . . . . 72.24 110.451 178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' ILE . 10.3 pt-20 -139.43 161.03 38.47 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.324 -0.621 . . . . 73.22 109.324 169.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 25' ' ' ASN . 61.0 tp -89.85 103.19 15.87 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.472 -0.566 . . . . 63.45 109.472 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.25 -17.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.569 -0.287 . . . . 52.1 111.758 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 15.5 t-80 -155.33 133.47 11.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 63.21 110.515 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' A' ' 22' ' ' LEU . 45.8 t30 -139.88 135.55 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.597 -0.52 . . . . 71.42 109.597 176.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -131.93 133.29 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.143 -0.317 . . . . 73.23 110.143 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 63.26 16.19 9.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.885 0.741 . . . . 61.14 110.293 178.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 25' ' ' ASN . 42.7 m-20 55.62 34.99 24.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.614 -0.721 . . . . 53.5 110.581 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' HA3' ' HB1' ' A' ' 93' ' ' ALA . . . -71.04 -14.74 73.79 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.287 -0.869 . . . . 73.21 112.284 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.12 129.14 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 74.52 111.105 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' OD1' ' HG2' ' A' ' 33' ' ' GLU . 51.4 t-20 -153.65 126.87 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.571 -0.9 . . . . 72.14 108.571 172.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 28.4 tt0 -57.93 -43.8 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.271 0.357 . . . . 54.32 111.212 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.529 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 12.0 pt-20 -59.24 -41.79 89.56 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.486 -0.324 . . . . 73.32 110.368 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.98 97.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.221 0.534 . . . . 71.02 110.396 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -57.39 7.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 71.1 110.927 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 17.5 ptmt -70.91 -19.21 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 55.12 112.023 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.14 53.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.707 0.289 . . . . 50.3 111.174 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -97.29 -13.25 22.08 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.493 -0.321 . . . . 63.33 110.442 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.74 139.34 56.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.189 0.519 . . . . 72.31 112.003 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -136.2 146.43 46.81 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.052 -0.721 . . . . 54.44 109.052 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.28 -35.31 73.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.696 0.284 . . . . 72.34 111.503 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.05 -27.56 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.028 0.442 . . . . 63.12 110.867 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.44 -19.53 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 74.14 111.057 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -38.18 80.19 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.166 -0.47 . . . . 75.21 111.088 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -64.74 -21.85 66.85 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 52.01 112.384 -173.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 94.4 m-85 -70.21 -28.71 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 72.41 110.899 -176.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 67.0 1.3 2.27 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.771 -0.649 . . . . 52.33 111.657 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 77' ' ' ILE . 41.3 m-85 -142.19 117.36 10.08 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.503 -0.554 . . . . 60.02 109.503 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -119.63 118.69 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 61.23 110.287 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 HG13 ' A' ' 96' ' ' VAL . 84.8 t -111.2 118.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 61.2 110.487 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.87 120.51 5.95 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.48 -0.648 . . . . 73.21 111.48 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.77 121.76 44.7 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.987 -0.375 . . . . 74.21 109.987 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -84.2 -60.59 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.058 -0.719 . . . . 73.0 109.058 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' HA2' ' SG ' ' A' ' 92' ' ' CYS . . . 50.29 -96.88 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.477 -0.783 . . . . 74.22 113.427 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -82.9 5.33 22.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.223 0.535 . . . . 74.04 110.957 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.14 4.64 59.82 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.886 -0.486 . . . . 71.23 111.886 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.97 80.97 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.877 -0.416 . . . . 63.42 109.877 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.91 107.82 0.92 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 65.42 109.928 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -131.11 158.19 41.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.356 -0.838 . . . . 72.43 109.188 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.71 118.27 36.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 64.25 111.21 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -97.79 138.14 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 72.13 109.664 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.86 135.85 12.41 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.024 -0.608 . . . . 72.31 112.315 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 63.5 m-85 -132.67 174.14 10.61 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.724 -0.473 . . . . 70.01 109.724 175.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -121.02 171.34 8.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 51.5 109.181 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 107.32 0.46 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.608 -0.516 . . . . 74.1 109.608 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.69 ' HB3' ' HA ' ' A' ' 77' ' ' ILE . 15.4 t70 -88.47 -69.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.579 . . . . 62.1 110.131 -175.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 71' ' ' ALA . 74.9 mt-30 -90.51 76.56 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.306 0.574 . . . . 54.21 109.559 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.99 -16.3 41.31 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.298 -0.864 . . . . 74.04 110.75 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -166.6 156.17 11.34 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.777 -0.823 . . . . 72.4 108.777 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 60.6 39.96 17.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.698 -0.852 . . . . 74.51 108.698 -172.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.529 ' CB ' ' HB3' ' A' ' 67' ' ' GLN . . . -106.95 167.22 10.04 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.119 -0.946 . . . . 71.42 112.342 -169.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.7 m -74.78 -28.7 60.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 73.11 109.915 174.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -152.71 164.18 38.25 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.647 -0.871 . . . . 73.14 108.647 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.29 -33.99 44.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.971 0.415 . . . . 74.4 111.591 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -134.57 121.75 21.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.958 -0.565 . . . . 71.21 109.686 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -160.91 146.88 14.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.948 -0.76 . . . . 73.5 108.948 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.69 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 31.4 mt -126.09 110.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.936 -0.394 . . . . 62.33 109.936 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.8 t -65.83 -46.63 77.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.752 0.311 . . . . 60.3 110.718 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -63.81 -18.16 63.83 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.322 -0.399 . . . . 72.25 110.999 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 66.9 tp -66.83 -45.52 78.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.432 -0.349 . . . . 74.25 110.576 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.86 -43.77 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.963 -0.562 . . . . 70.31 110.158 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 23.2 mm-40 -65.73 -48.51 71.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.521 -0.763 . . . . 64.22 110.445 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.83 -56.51 18.62 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.776 -0.647 . . . . 75.13 111.244 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 88' ' ' CYS . 44.1 mm -58.29 -42.77 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 64.21 110.467 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.82 -30.1 60.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 74.4 110.764 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -79.92 -47.96 14.2 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.043 -0.526 . . . . 71.52 110.493 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -86.69 -81.71 0.22 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.88 -0.6 . . . . 71.21 111.037 -175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.512 ' HB3' HG23 ' A' ' 84' ' ' ILE . 37.1 t -81.26 82.36 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.21 0.529 . . . . 54.03 110.385 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -66.86 178.16 1.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 73.22 110.178 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.78 87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.037 0.446 . . . . 74.12 109.946 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 160.73 37.43 0.02 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.59 -0.732 . . . . 70.43 111.554 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.494 ' SG ' ' HA2' ' A' ' 54' ' ' GLY . 7.5 p -172.25 -167.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.588 -0.523 . . . . 72.14 109.588 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . . . -133.95 166.01 23.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.814 0.34 . . . . 62.33 111.529 -176.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -165.38 160.33 18.0 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.704 -0.68 . . . . 55.24 109.863 176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -144.2 153.94 42.61 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.488 -0.324 . . . . 74.22 110.684 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.513 HG13 HG22 ' A' ' 50' ' ' VAL . 32.4 t -131.31 120.68 46.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.325 -0.398 . . . . 43.4 110.567 -175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.84 148.34 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.228 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -128.66 137.82 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 71.23 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 19' ' ' GLU . 8.5 tpt180 -69.79 126.22 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.559 -0.534 . . . . 71.22 109.559 172.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 21' ' ' GLU . 38.4 mm -77.15 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.695 -0.23 . . . . 61.03 110.469 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -145.9 -81.93 0.15 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 110.448 -0.205 . . . . 72.52 110.448 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 147.59 22.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.608 -0.269 . . . . 71.31 110.364 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.9 mm? -75.92 102.65 5.65 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.298 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -73.36 96.44 2.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.403 . . . . 74.23 110.044 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.88 -75.37 0.48 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.497 . . . . 72.31 109.868 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.2 m170 69.22 -53.03 0.59 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.59 0.756 . . . . 72.24 111.631 -176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -46.47 104.38 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.348 0.659 . . . . 73.21 110.769 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -78.94 36.79 0.29 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.952 0.501 . . . . 72.11 112.348 -171.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.29 92.86 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.035 -0.357 . . . . 74.04 110.035 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 119.019 -0.515 . . . . 63.11 109.944 -179.013 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.223 -0.288 . . . . 35.13 110.223 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.14 95.89 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.39 0.614 . . . . 74.05 110.845 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.07 81.64 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.461 -0.656 . . . . 74.43 111.461 176.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.507 ' SD ' ' NZ ' ' A' ' 102' ' ' LYS . 71.7 mtm -58.26 131.48 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 74.54 111.516 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -116.56 92.1 3.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.667 -0.864 . . . . 71.44 108.667 173.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -93.02 -177.83 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 61.32 110.882 -175.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.12 141.11 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 72.43 110.915 -173.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 8' ' ' ARG . 50.4 mtm180 -72.42 -75.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.454 -0.573 . . . . 54.32 109.454 171.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.14 177.56 38.3 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.947 -1.12 . . . . 70.11 113.954 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -161.47 -73.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.306 -1.368 . . . . 63.13 107.306 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -133.36 81.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.832 -1.174 . . . . 62.24 107.832 167.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -102.91 138.83 39.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.08 -0.964 . . . . 73.44 110.592 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG13 HD21 ' A' ' 97' ' ' LEU . 19.1 mm -118.1 99.83 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.651 . . . . 73.14 109.637 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 14' ' ' LEU . 7.2 mp -90.2 110.65 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.682 -0.488 . . . . 73.22 109.682 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG12 ' HG2' ' A' ' 16' ' ' GLN . 11.7 tt -143.22 135.99 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.928 -0.578 . . . . 74.25 109.952 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 15' ' ' ILE . 71.4 mm-40 57.88 29.22 17.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 70.31 110.528 -177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 64.87 25.04 12.81 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.607 -0.724 . . . . 74.22 110.938 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.87 128.17 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.32 -0.622 . . . . 62.25 109.32 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.42 136.64 35.54 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.683 0.278 . . . . 73.31 110.281 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 84.2 m-85 -130.38 134.35 47.08 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.348 -0.612 . . . . 71.13 109.348 175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.59 136.07 37.62 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.76 0.315 . . . . 71.12 110.191 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.9 104.84 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.318 -0.623 . . . . 73.4 109.318 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -96.44 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.808 -175.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -158.08 132.53 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.034 -0.358 . . . . 75.42 110.034 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -142.93 137.91 29.77 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.513 -0.551 . . . . 75.53 109.513 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 50.4 t80 -128.1 112.28 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.046 -0.353 . . . . 75.0 110.046 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.4 mptp? 56.88 34.17 24.35 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.103 0.478 . . . . 65.31 111.174 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 60.03 39.29 20.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.405 -0.816 . . . . 71.11 110.802 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.3 -28.41 61.74 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.324 -0.71 . . . . 51.51 111.324 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -64.42 136.16 56.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.125 0.488 . . . . 72.52 110.992 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -153.88 116.5 4.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.202 -1.036 . . . . 73.43 108.202 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 25.4 tt0 -65.17 -51.66 59.76 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.483 0.182 . . . . 72.23 111.349 -171.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.82 -34.78 76.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.49 -0.323 . . . . 61.01 110.704 -174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.85 57.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.472 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.04 -59.14 5.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 62.12 111.063 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 15.8 ptmt -63.92 -24.2 67.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.119 -0.491 . . . . 74.25 111.325 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.74 35.1 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.279 -0.419 . . . . 64.31 111.448 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 2.6 mmp_? -114.08 -2.04 13.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.57 -0.286 . . . . 70.04 111.128 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -67.22 114.4 5.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.984 -0.376 . . . . 71.35 109.984 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -89.15 134.02 34.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.093 -0.503 . . . . 63.53 109.837 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.88 -30.6 67.88 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 122.601 0.36 . . . . 74.31 110.886 -177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.14 -28.19 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.339 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 49' ' ' ILE . 94.8 mt -71.18 -15.26 62.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.1 -0.5 . . . . 62.5 111.705 -175.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.39 -23.17 64.12 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.132 0.492 . . . . 73.31 110.823 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.36 -36.84 81.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.845 -0.616 . . . . 72.45 110.963 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 75.5 m-85 -84.56 -38.13 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 74.35 111.718 -169.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 99' ' ' ARG . 22.4 m-20 67.95 1.37 2.7 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.232 -0.44 . . . . 53.13 111.966 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' PHE . 69.2 m-85 -129.59 115.66 17.73 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.533 -0.914 . . . . 75.1 108.533 171.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 43' ' ' LEU . 27.2 mm -114.76 126.63 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.686 -172.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.497 HG21 HD13 ' A' ' 80' ' ' LEU . 47.2 t -118.41 124.87 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 64.33 109.555 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . -116.58 120.26 4.79 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.819 -0.705 . . . . 54.43 111.907 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.42 139.79 48.62 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.926 -0.398 . . . . 75.31 109.926 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.99 -88.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.072 -0.344 . . . . 74.32 110.072 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.07 -74.49 0.08 OUTLIER Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.305 -0.474 . . . . 75.31 112.36 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -86.65 178.07 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.023 -0.732 . . . . 63.45 109.023 177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.28 28.04 1.0 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.148 -0.549 . . . . 51.14 113.779 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -144.45 143.14 30.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.559 -0.534 . . . . 70.51 109.559 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.49 113.31 23.94 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.313 -0.625 . . . . 74.53 109.313 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 20.6 tpp85 -94.48 128.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.986 -0.376 . . . . 73.41 109.986 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.0 115.37 28.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.935 0.398 . . . . 70.12 110.256 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -110.73 138.69 46.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.589 -0.732 . . . . 73.22 109.584 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.78 141.81 15.37 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.329 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 80.5 m-85 -135.94 168.04 20.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.783 0.325 . . . . 73.45 110.747 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -110.49 156.46 20.84 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.282 -0.636 . . . . 54.22 109.282 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.69 153.67 16.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 110.244 -0.28 . . . . 70.04 110.244 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' ' 77' ' ' ILE . 7.8 t70 -137.5 -56.78 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.771 0.32 . . . . 73.31 110.632 -176.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.85 -39.47 63.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.246 -0.433 . . . . 73.02 110.341 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 63.69 179.86 0.16 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.598 -0.728 . . . . 61.44 112.403 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.57 87.23 6.26 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.388 -0.824 . . . . 61.3 109.638 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -141.49 -45.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 62.44 110.02 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.76 -173.85 2.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 74.23 110.567 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -69.22 -18.24 63.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.886 0.375 . . . . 73.03 110.371 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -104.76 123.84 48.36 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.863 -0.608 . . . . 72.41 109.468 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -108.64 -57.08 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.698 . . . . 73.42 110.404 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.3 p -79.24 72.62 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.645 -0.707 . . . . 43.21 111.195 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -150.41 132.24 15.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.131 -0.692 . . . . 73.04 109.131 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.451 HG22 HG22 ' A' ' 79' ' ' THR . 64.7 mt -126.84 122.41 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.697 -0.483 . . . . 74.41 109.697 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -51.38 -49.79 60.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.332 -0.395 . . . . 64.05 111.631 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.451 HG22 HG22 ' A' ' 77' ' ' ILE . 14.4 t -69.22 -21.3 63.95 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.656 -0.247 . . . . 71.21 111.428 -177.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 50' ' ' VAL . 50.6 tp -69.41 -42.42 75.09 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 109.845 -0.428 . . . . 73.14 109.845 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.57 -43.68 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 71.24 109.912 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 86' ' ' GLU . 29.5 mm-40 -61.27 -49.7 75.99 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.681 -0.691 . . . . 74.41 109.975 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.77 -54.7 30.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.259 -0.882 . . . . 72.34 111.713 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mm -59.44 -39.6 79.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.898 0.38 . . . . 61.52 110.325 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 50.2 t80 -64.6 -39.23 93.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.555 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.9 mt-10 -61.81 -56.43 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 52.15 111.419 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -96.82 -28.47 14.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.204 0.816 . . . . 72.53 113.204 -167.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 92' ' ' CYS . 34.4 t -135.18 50.97 2.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.17 0.51 . . . . 73.34 111.552 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 51.9 t30 -69.39 -34.19 74.15 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.93 -0.577 . . . . 72.25 110.429 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.73 -71.19 0.16 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.722 -0.672 . . . . 74.13 110.412 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.71 94.36 0.1 Allowed Glycine 0 C--O 1.238 0.36 0 C-N-CA 121.139 -0.553 . . . . 75.31 111.903 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 23.0 p -135.78 159.81 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.53 -0.544 . . . . 73.53 109.53 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.0 134.97 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.638 0.256 . . . . 71.22 111.313 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -151.44 174.7 13.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.922 -0.581 . . . . 54.31 110.025 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -154.55 151.8 29.31 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.593 -0.276 . . . . 74.43 111.037 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.2 128.38 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 122.468 0.307 . . . . 75.01 110.595 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 20' ' ' PHE . 11.2 mp -111.6 146.48 37.32 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.787 0.435 . . . . 42.52 110.787 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -118.64 138.01 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 72.42 109.984 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 12.9 tpt180 -66.58 138.2 57.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.176 0.436 . . . . 75.41 112.176 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.0 mm -98.75 142.26 15.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.659 -0.7 . . . . 72.35 109.196 170.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -60.29 -48.32 82.22 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.619 0.247 . . . . 71.44 111.231 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' NZ ' ' SD ' ' A' ' 4' ' ' MET . 50.4 mtmt -125.1 176.11 6.92 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.555 -0.293 . . . . 61.3 110.659 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.31 155.34 19.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.123 0.487 . . . . 61.22 112.114 -175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.75 154.04 40.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.186 -0.915 . . . . 74.41 109.076 173.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 21.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.557 0.218 . . . . 75.53 111.32 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -66.88 -6.23 15.59 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.796 0.295 . . . . 74.23 111.796 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -68.47 -8.01 37.15 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.04 0.448 . . . . 71.22 110.115 172.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -95.08 117.05 29.52 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.772 -0.825 . . . . 74.41 108.772 171.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -56.31 120.09 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.332 0.395 . . . . 74.54 111.268 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.828 -0.606 . . . . 61.14 110.007 177.777 . . . . . . . . 0 0 . 1 stop_ save_